153915

Source:http://linkedlifedata.com/resource/chembl/compound/153915

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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/C36H35ClN6S2/c1-23-17-29-32(44-22-28-14-11-26(20-38-28)25-7-5-4-6-8-25)16-15-30-34(29)35(45-23)31(18-36(2,3)19-33-39-41-42-40-33)43(30)21-24-9-12-27(37)13-10-24/h4-16,20,23H,17-19,21-22H2,1-3H3,(H,39,40,41,42)
chemicalCompound:standardIn...	BFCKURJEBJHCHO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1Cc2c(SCc3ccc(cn3)c4ccccc4)ccc5c2c(S1)c(CC(C)(C)Cc6nn[nH]n6)n5Cc7ccc(Cl)cc7
chemicalCompound:molecularF...	C36 H35 Cl N6 S2
chemicalCompound:moleculeId	153915
chemicalCompound:mwFreebase	651.286
chemicalCompound:alogp	9.024
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	122.88
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	5.415
chemicalCompound:acdLogP	7.614
chemicalCompound:acdLogD	5.919
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	651.286
chemicalCompound:acdMostBpk...	3.96
chemicalCompound:chemblId	CHEMBL94307
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:253915
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:1161651, activity:1161652