496558

Source:http://linkedlifedata.com/resource/chembl/compound/496558

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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/C27H33N3O6S/c1-19-9-7-14-24(28-19)27(33)29-25(15-21-10-5-4-6-11-21)26(32)18-30(17-20(2)31)37(34,35)23-13-8-12-22(16-23)36-3/h4-14,16,20,25-26,31-32H,15,17-18H2,1-3H3,(H,29,33)/t20-,25+,26-/m1/s1
chemicalCompound:standardIn...	YTKRGFMRMASRCH-RFLWCCGPSA-N
chemicalCompound:canonicalS...	COc1cccc(c1)S(=O)(=O)N(C[C@@H](C)O)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c3cccc(C)n3
chemicalCompound:molecularF...	C27H33N3O6S
chemicalCompound:moleculeId	496558
chemicalCompound:mwFreebase	527.632
chemicalCompound:alogp	2.608
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	137.44
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.306
chemicalCompound:acdLogP	3.917
chemicalCompound:acdLogD	3.917
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	527.632
chemicalCompound:acdMostBpk...	2.84
chemicalCompound:chemblId	CHEMBL458223
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:596558
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:2496874, activity:2497001