154158

Source:http://linkedlifedata.com/resource/chembl/compound/154158

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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/C36H35ClN2O3S/c1-23-19-29-32(42-22-28-14-11-26(20-38-28)25-7-5-4-6-8-25)16-15-30-33(29)34(43-23)31(17-18-36(2,3)35(40)41)39(30)21-24-9-12-27(37)13-10-24/h4-16,20,23H,17-19,21-22H2,1-3H3,(H,40,41)
chemicalCompound:standardIn...	NVXSCEQQPSUNQJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1Cc2c(OCc3ccc(cn3)c4ccccc4)ccc5c2c(S1)c(CCC(C)(C)C(=O)O)n5Cc6ccc(Cl)cc6
chemicalCompound:molecularF...	C36 H35 Cl N2 O3 S
chemicalCompound:moleculeId	154158
chemicalCompound:mwFreebase	611.193
chemicalCompound:alogp	9.047
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	89.65
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.854
chemicalCompound:acdLogP	8.579
chemicalCompound:acdLogD	6.058
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	611.193
chemicalCompound:acdMostBpk...	3.641
chemicalCompound:chemblId	CHEMBL96423
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:254158
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:1156490, activity:1156491