Consensus flow list

Identity

Type
Neutral molecule
CAS
439-14-5
EC
207-122-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Diazepam

What it is used for

1

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. ChEBI

Alternative labels

174

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string AAOVKJBEBIDNHE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
IUPAC name chemrof:IUPAC_name 7-chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one
Molecular formula chemrof:molecular_formula C16H13ClN2O
Molecular mass chemrof:molecular_mass 284.746
Monoisotopic mass chemrof:monoisotopic_mass 284.07164, 284.071641
SMILES string chemrof:smiles_string CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21

Known URLs

37

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
beilstein beilstein:754371 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=439-14-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:49575 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.006.476 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4020406 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB00829 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB00829 enrich_references.pubchem_identifier_url
drugcentral drugcentral:852 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/852 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=169897 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=77518 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL12 enrich_references.pubchem_identifier_url
gmelin gmelin:124061 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Q3JTX2Q7TU enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0014967 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.044C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C06948 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D00293 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C06948 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D00293 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-2359 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43117 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C28982 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:DZP enrich_references.chebi_xrefs
pharmgkb.org https://www.pharmgkb.org/chemical/PA449283 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/KHA18H7FF2WX enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL12 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3016 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=001617 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11925051 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16365514 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16780966 enrich_references.chebi_xrefs
reaxys reaxys:754371 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/3322 enrich_references.pubchem_identifier_url
vsdb vsdb:2972 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q210402 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Diazepam enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
f40e1966-0ee1-4de1-92bd-25bb132ff5ae Environmental → Air → Aircraft cruise height EF 3.1 kg 0
c5b8b047-8fd6-4847-a287-a731aac61b2b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
617e4f0c-8e1b-41cb-a014-b022957e6950 Environmental → Air → Indoor EF 3.1 kg 0
7292bd9f-afb7-4b58-9b2b-0e15fbab5289 Environmental → Air → Long-term EF 3.1 kg 0
8d0dd8ad-9e4c-4d20-bd28-9bd1359948c9 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
afc9fecb-47cc-42de-ab8e-0750903287c8 Environmental → Air → Unknown EF 3.1 kg 0
f7358e76-09f8-4436-b80b-7eb98042b399 Environmental → Ground → Agricultural EF 3.1 kg 0
e4c753cc-6880-4695-9be5-c5f9bbaf9b43 Environmental → Ground → Non-agricultural EF 3.1 kg 0
61e19c78-a596-4fe9-a65e-acbd6a646b7a Environmental → Ground → Unknown EF 3.1 kg 0
f737edfa-6ca4-4a97-9619-fc8c4f423915 Environmental → Water → Long-term EF 3.1 kg 0
fbbfbeee-cf4f-438c-b046-8e33b65a5029 Environmental → Water → Ocean EF 3.1 kg 0
ee55d294-75a4-497a-a561-da59838d1aa9 Environmental → Water → Surface water EF 3.1 kg 0
55de249a-7516-4721-95e2-bf47bd027887 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-54ec5c01935fda41",
  "prefLabel": [
    {
      "@value": "Diazepam",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Methyl-5-phenyl-7-chloro-1,3-dihydro-1H-1,4-benzodiazepin-2-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "CAS:439-14-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=439-14-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Methyl-5-phenyl-7-chloro-1,3-dihydro-2H-1,4-benzodiazepin-2-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=439-14-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-1-methyl-5-phenyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "7-chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "7-Chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "7-Chloro-1-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "7-chloro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "http://purl.obolibrary.org/obo/CHEBI_49575"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "7-Chloro-1-methyl-5-phenyl-1,3-dihydrobenzo[e][1,4]diazepin-2-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=439-14-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "7-Chloro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-2(3H)-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=439-14-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "7-Chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2(1H)-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "7-Chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:439-14-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=439-14-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Alboral",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=439-14-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Aliseum",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:439-14-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=439-14-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Alupram",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:439-14-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=439-14-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Amiprol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:439-14-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=439-14-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "An-Ding",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:439-14-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=439-14-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Anlin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:439-14-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=439-14-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ansiolin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:439-14-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=439-14-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ansiolisina",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:439-14-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=439-14-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Antenex",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:439-14-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=439-14-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Anxionil",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:439-14-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=439-14-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Apaurin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:439-14-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=439-14-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Apo-diazepam",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:439-14-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=439-14-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Apozepam",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:439-14-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=439-14-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Apzepam",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:439-14-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=439-14-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Armonil",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:439-14-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=439-14-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Arzepam",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:439-14-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=439-14-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Assival",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:439-14-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=439-14-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Atensine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:439-14-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=439-14-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Atilen",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:439-14-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=439-14-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Azedipamin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:439-14-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=439-14-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Baogin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        "439-14-5"
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      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=439-14-5"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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    },
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        "https://echa.europa.eu/search-for-chemicals?query=207-122-5"
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        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "http://www.w3.org/2004/02/skos/core#definition": [
    {
      "@value": "A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a methyl group at position 1 and a phenyl group at position 5.",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi.definition"
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  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ],
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    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_78298",
      "rdfs:label": "environmental contaminant",
      "http://www.w3.org/2004/02/skos/core#definition": "Any minor or unwanted substance introduced into the environment that can have undesired effects.",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    }
  ]
}

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