497221

Source:http://linkedlifedata.com/resource/chembl/compound/497221

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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/C30H34FN3O4S2/c1-4-20(2)17-34(40(37,38)23-13-14-26-29(16-23)39-19-32-26)18-28(35)27(15-22-9-6-5-7-10-22)33-30(36)24-11-8-12-25(31)21(24)3/h5-14,16,19-20,27-28,35H,4,15,17-18H2,1-3H3,(H,33,36)/t20-,27-,28+/m0/s1
chemicalCompound:standardIn...	WJIQPYQTWBEMJG-XNZIZSAOSA-N
chemicalCompound:canonicalS...	CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c2cccc(F)c2C)S(=O)(=O)c3ccc4ncsc4c3
chemicalCompound:molecularF...	C30H34FN3O4S2
chemicalCompound:moleculeId	497221
chemicalCompound:mwFreebase	583.737
chemicalCompound:alogp	5.649
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	136.22
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.391
chemicalCompound:acdLogP	6
chemicalCompound:acdLogD	6
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	583.737
chemicalCompound:chemblId	CHEMBL515549
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:597221
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:2496809, activity:2496959