153762

Source:http://linkedlifedata.com/resource/chembl/compound/153762

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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/C32H27ClN2O3S/c1-20-15-26-29(38-19-25-12-9-23(17-34-25)22-5-3-2-4-6-22)14-13-27-31(26)32(39-20)28(16-30(36)37)35(27)18-21-7-10-24(33)11-8-21/h2-14,17,20H,15-16,18-19H2,1H3,(H,36,37)
chemicalCompound:standardIn...	BGGAKBUOKVKQCT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1Cc2c(OCc3ccc(cn3)c4ccccc4)ccc5c2c(S1)c(CC(=O)O)n5Cc6ccc(Cl)cc6
chemicalCompound:molecularF...	C32 H27 Cl N2 O3 S
chemicalCompound:moleculeId	153762
chemicalCompound:mwFreebase	555.086
chemicalCompound:alogp	7.677
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	89.65
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.223
chemicalCompound:acdLogP	7.85
chemicalCompound:acdLogD	4.782
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	555.086
chemicalCompound:acdMostBpk...	3.615
chemicalCompound:chemblId	CHEMBL96342
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:253762
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:1168551, activity:1168552