782983

Source:http://linkedlifedata.com/resource/chembl/compound/782983

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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/C20H17N3O3/c1-14-9-11-16(12-10-14)23-19(25)17(18(24)22-20(23)26)8-5-13-21-15-6-3-2-4-7-15/h2-13,21H,1H3,(H,22,24,26)/b13-5+,17-8-
chemicalCompound:standardIn...	QFEHYTVKEKLZAN-DSIZIARHSA-N
chemicalCompound:canonicalS...	Cc1ccc(cc1)N2C(=O)NC(=O)\C(=C\C=C\Nc3ccccc3)\C2=O
chemicalCompound:molecularF...	C20H17N3O3
chemicalCompound:moleculeId	782983
chemicalCompound:mwFreebase	347.367
chemicalCompound:alogp	2.942
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	78.51
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.977
chemicalCompound:acdLogP	2.696
chemicalCompound:acdLogD	2.092
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	347.367
chemicalCompound:acdMostBpk...	0.653
chemicalCompound:chemblId	CHEMBL1359099
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:882983
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:3769685, activity:4208853, activity:4914859, activity:5501992, activity:5706343, activity:5853212, activity:5865811, activity:6461840, activity:6743227, activity:7003988, activity:7191994, activity:7214894, activity:7261604, activity:9808108, activity:10577433