154205

Source:http://linkedlifedata.com/resource/chembl/compound/154205

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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/C34H31ClN2O3S/c1-34(2,33(38)39)18-29-32-31-27(16-17-41-32)30(15-14-28(31)37(29)20-22-8-11-25(35)12-9-22)40-21-26-13-10-24(19-36-26)23-6-4-3-5-7-23/h3-15,19H,16-18,20-21H2,1-2H3,(H,38,39)
chemicalCompound:standardIn...	UCADMZRMJWZIEG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(Cc1c2SCCc3c(OCc4ccc(cn4)c5ccccc5)ccc(c23)n1Cc6ccc(Cl)cc6)C(=O)O
chemicalCompound:molecularF...	C34 H31 Cl N2 O3 S
chemicalCompound:moleculeId	154205
chemicalCompound:mwFreebase	583.14
chemicalCompound:alogp	8.214
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	89.65
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.694
chemicalCompound:acdLogP	7.24
chemicalCompound:acdLogD	4.573
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	583.14
chemicalCompound:acdMostBpk...	3.633
chemicalCompound:chemblId	CHEMBL96899
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:254205
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:1172214, activity:1172215