432768

Source:http://linkedlifedata.com/resource/chembl/compound/432768

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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/C19H17N3O2/c1-13-17(14(2)23)18(19(24)20-15-9-5-3-6-10-15)21-22(13)16-11-7-4-8-12-16/h3-12H,1-2H3,(H,20,24)
chemicalCompound:standardIn...	HERIPSBZGMABJQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)c1c(C)n(nc1C(=O)Nc2ccccc2)c3ccccc3
chemicalCompound:molecularF...	C19 H17 N3 O2
chemicalCompound:moleculeId	432768
chemicalCompound:mwFreebase	319.357
chemicalCompound:alogp	3.155
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	63.99
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.116
chemicalCompound:acdLogP	1.271
chemicalCompound:acdLogD	1.271
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	319.357
chemicalCompound:acdMostBpk...	0.186
chemicalCompound:chemblId	CHEMBL450285
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:532768
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:2084523, activity:2084534, activity:2084546, activity:2084547, activity:2144930, activity:2144945, activity:2144960, activity:2144974