153853

Source:http://linkedlifedata.com/resource/chembl/compound/153853

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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/C30H31ClN2O4S/c1-18-13-23-26(37-17-21-9-10-22(36-4)15-32-21)12-11-24-27(23)28(38-18)25(14-30(2,3)29(34)35)33(24)16-19-5-7-20(31)8-6-19/h5-12,15,18H,13-14,16-17H2,1-4H3,(H,34,35)
chemicalCompound:standardIn...	UORFYXWHQZJVIR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(COc2ccc3c4c2CC(C)Sc4c(CC(C)(C)C(=O)O)n3Cc5ccc(Cl)cc5)nc1
chemicalCompound:molecularF...	C30 H31 Cl N2 O4 S
chemicalCompound:moleculeId	153853
chemicalCompound:mwFreebase	551.096
chemicalCompound:alogp	7.056
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	98.88
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.694
chemicalCompound:acdLogP	5.821
chemicalCompound:acdLogD	3.154
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	551.096
chemicalCompound:acdMostBpk...	2.801
chemicalCompound:chemblId	CHEMBL96611
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:253853
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:1146167, activity:1146168, activity:1146169