84

Source:http://linkedlifedata.com/resource/chembl/compound/84

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C17H14ClN3O3/c1-10-8-13(21-17(24)20-15(22)9-19-21)6-7-14(10)16(23)11-2-4-12(18)5-3-11/h2-9,16,23H,1H3,(H,20,22,24)
chemicalCompound:standardIn...	RIPQISUYKHFAQD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(ccc1C(O)c2ccc(Cl)cc2)N3N=CC(=O)NC3=O
chemicalCompound:molecularF...	C17 H14 Cl N3 O3
chemicalCompound:moleculeId	84
chemicalCompound:mwFreebase	343.764
chemicalCompound:alogp	2.948
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	82
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.585
chemicalCompound:acdLogP	2.734
chemicalCompound:acdLogD	1.897
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	343.764
chemicalCompound:chemblId	CHEMBL269496
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100084
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:190320