153885

Source:http://linkedlifedata.com/resource/chembl/compound/153885

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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/C33H37ClN2O3S/c1-5-6-7-22-10-13-25(35-18-22)20-39-29-15-14-27-30-26(29)16-21(2)40-31(30)28(17-33(3,4)32(37)38)36(27)19-23-8-11-24(34)12-9-23/h8-15,18,21H,5-7,16-17,19-20H2,1-4H3,(H,37,38)
chemicalCompound:standardIn...	DNMJJTUXOLEAAH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCc1ccc(COc2ccc3c4c2CC(C)Sc4c(CC(C)(C)C(=O)O)n3Cc5ccc(Cl)cc5)nc1
chemicalCompound:molecularF...	C33 H37 Cl N2 O3 S
chemicalCompound:moleculeId	153885
chemicalCompound:mwFreebase	577.176
chemicalCompound:alogp	8.927
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	89.65
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.695
chemicalCompound:acdLogP	7.825
chemicalCompound:acdLogD	5.158
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	577.176
chemicalCompound:acdMostBpk...	4.345
chemicalCompound:chemblId	CHEMBL329529
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:253885
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:1152428, activity:1152429