4

Source:http://linkedlifedata.com/resource/chembl/compound/4

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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/C17H13N3O3/c1-11-2-4-12(5-3-11)16(22)13-6-8-14(9-7-13)20-17(23)19-15(21)10-18-20/h2-10H,1H3,(H,19,21,23)
chemicalCompound:standardIn...	PSOPUAQFGCRDIP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(cc1)C(=O)c2ccc(cc2)N3N=CC(=O)NC3=O
chemicalCompound:molecularF...	C17 H13 N3 O3
chemicalCompound:moleculeId	4
chemicalCompound:mwFreebase	307.303
chemicalCompound:alogp	2.68
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	78.84
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.119
chemicalCompound:acdLogP	2.983
chemicalCompound:acdLogD	1.756
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	307.303
chemicalCompound:chemblId	CHEMBL6362
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100004
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:209356