496949

Source:http://linkedlifedata.com/resource/chembl/compound/496949

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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/C28H38N4O5S2/c1-18(2)15-32(39(36,37)22-11-12-23-26(14-22)38-17-29-23)16-25(34)24(13-21-9-7-6-8-10-21)31-28(35)27(19(3)4)30-20(5)33/h6-12,14,17-19,24-25,27,34H,13,15-16H2,1-5H3,(H,30,33)(H,31,35)/t24-,25+,27-/m0/s1
chemicalCompound:standardIn...	DALVSHGZPWVICD-WEWMWRJBSA-N
chemicalCompound:canonicalS...	CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)C)C(C)C)S(=O)(=O)c2ccc3ncsc3c2
chemicalCompound:molecularF...	C28H38N4O5S2
chemicalCompound:moleculeId	496949
chemicalCompound:mwFreebase	574.755
chemicalCompound:alogp	3.224
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	165.32
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.401
chemicalCompound:acdLogP	3.631
chemicalCompound:acdLogD	3.631
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	574.755
chemicalCompound:chemblId	CHEMBL465795
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:596949
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:2496828, activity:2496941