497158

Source:http://linkedlifedata.com/resource/chembl/compound/497158

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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/C30H31FN2O5S2/c1-21-26(14-7-15-27(21)31)30(35)32-28(17-22-9-4-3-5-10-22)29(34)20-33(19-24-12-8-16-39-24)40(36,37)25-13-6-11-23(18-25)38-2/h3-16,18,28-29,34H,17,19-20H2,1-2H3,(H,32,35)/t28-,29+/m0/s1
chemicalCompound:standardIn...	AXUYLLZCOSCKTG-URLMMPGGSA-N
chemicalCompound:canonicalS...	COc1cccc(c1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c3cccc(F)c3C)Cc4cccs4
chemicalCompound:molecularF...	C30H31FN2O5S2
chemicalCompound:moleculeId	497158
chemicalCompound:mwFreebase	582.706
chemicalCompound:alogp	5.225
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	132.55
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.328
chemicalCompound:acdLogP	6.115
chemicalCompound:acdLogD	6.115
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	582.706
chemicalCompound:chemblId	CHEMBL475279
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:597158
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:2496897, activity:2496974