496948

Source:http://linkedlifedata.com/resource/chembl/compound/496948

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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/C28H41N3O6S/c1-19(2)17-31(38(35,36)24-14-12-23(37-6)13-15-24)18-26(33)25(16-22-10-8-7-9-11-22)30-28(34)27(20(3)4)29-21(5)32/h7-15,19-20,25-27,33H,16-18H2,1-6H3,(H,29,32)(H,30,34)/t25-,26+,27-/m0/s1
chemicalCompound:standardIn...	VKLUHZYRUNUZJT-VJGNERBWSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)C)C(C)C
chemicalCompound:molecularF...	C28H41N3O6S
chemicalCompound:moleculeId	496948
chemicalCompound:mwFreebase	547.707
chemicalCompound:alogp	3.124
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	133.41
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.463
chemicalCompound:acdLogP	3.867
chemicalCompound:acdLogD	3.867
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	547.707
chemicalCompound:chemblId	CHEMBL456280
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:596948
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:2496825, activity:2496945