493176

Source:http://linkedlifedata.com/resource/chembl/compound/493176

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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/C24H27N7O2S/c1-24(2)14-17-21(22(32)27-24)34-23(26-17)31-11-12-33-19-5-3-15(13-18(19)31)16-4-6-20(29-28-16)30-9-7-25-8-10-30/h3-6,13,25H,7-12,14H2,1-2H3,(H,27,32)
chemicalCompound:standardIn...	OLPYULLNILMXSL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1(C)Cc2nc(sc2C(=O)N1)N3CCOc4ccc(cc34)c5ccc(nn5)N6CCNCC6
chemicalCompound:molecularF...	C24H27N7O2S
chemicalCompound:moleculeId	493176
chemicalCompound:mwFreebase	477.582
chemicalCompound:alogp	2.498
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	123.74
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.59
chemicalCompound:acdLogP	1
chemicalCompound:acdLogD	-0.198
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	477.582
chemicalCompound:acdMostBpk...	8.571
chemicalCompound:chemblId	CHEMBL496941
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:593176
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:2260742, activity:2260743, activity:2260744, activity:2260745, activity:2260746, activity:2260747, activity:2260748, activity:2260749