229573

Source:http://linkedlifedata.com/resource/chembl/compound/229573

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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/C31H24N6O3/c32-17-22-9-11-23(12-10-22)20-36-21-33-18-28(36)19-34-25-13-14-29(30(16-25)24-5-2-1-3-6-24)31(38)35-26-7-4-8-27(15-26)37(39)40/h1-16,18,21,34H,19-20H2,(H,35,38)
chemicalCompound:standardIn...	LAOSGJHNTUVLCK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	[O-][N+](=O)c1cccc(NC(=O)c2ccc(NCc3cncn3Cc4ccc(cc4)C#N)cc2c5ccccc5)c1
chemicalCompound:molecularF...	C31 H24 N6 O3
chemicalCompound:moleculeId	229573
chemicalCompound:mwFreebase	528.561
chemicalCompound:alogp	5.053
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	128.55
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.659
chemicalCompound:acdLogP	4.129
chemicalCompound:acdLogD	4.11
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	528.561
chemicalCompound:acdMostBpk...	5.988
chemicalCompound:chemblId	CHEMBL134795
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:329573
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:1220216, activity:1220217, activity:1220218, activity:1220219