156182

Source:http://linkedlifedata.com/resource/chembl/compound/156182

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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/C26H31N3O4S/c1-5-24(20-9-7-6-8-10-20)27-26(30)23-17-21(33-18-29(3)4)13-16-25(23)28-34(31,32)22-14-11-19(2)12-15-22/h6-17,24,28H,5,18H2,1-4H3,(H,27,30)/t24-/m0/s1
chemicalCompound:standardIn...	XFVPPHQCTDOLGO-DEOSSOPVSA-N
chemicalCompound:canonicalS...	CC[C@H](NC(=O)c1cc(OCN(C)C)ccc1NS(=O)(=O)c2ccc(C)cc2)c3ccccc3
chemicalCompound:molecularF...	C26 H31 N3 O4 S
chemicalCompound:moleculeId	156182
chemicalCompound:mwFreebase	481.607
chemicalCompound:alogp	4.601
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	96.12
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.634
chemicalCompound:acdLogP	4.629
chemicalCompound:acdLogD	4.502
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	481.607
chemicalCompound:acdMostBpk...	6.84
chemicalCompound:chemblId	CHEMBL93930
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:256182
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:316020