496763

Source:http://linkedlifedata.com/resource/chembl/compound/496763

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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/C28H37N3O5S2/c1-3-5-9-16-31(38(35,36)23-13-14-24-27(18-23)37-20-29-24)19-26(33)25(17-21-10-7-6-8-11-21)30-28(34)15-12-22(32)4-2/h6-8,10-11,13-14,18,20,25-26,33H,3-5,9,12,15-17,19H2,1-2H3,(H,30,34)/t25-,26+/m0/s1
chemicalCompound:standardIn...	JYUWGEYEISNAQW-IZZNHLLZSA-N
chemicalCompound:canonicalS...	CCCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)CC)S(=O)(=O)c2ccc3ncsc3c2
chemicalCompound:molecularF...	C28H37N3O5S2
chemicalCompound:moleculeId	496763
chemicalCompound:mwFreebase	559.74
chemicalCompound:alogp	4.043
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	153.29
chemicalCompound:rtb	16
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.457
chemicalCompound:acdLogP	4.265
chemicalCompound:acdLogD	4.265
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	559.74
chemicalCompound:chemblId	CHEMBL457330
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:596763
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:2496865, activity:2496905