570360

Source:http://linkedlifedata.com/resource/chembl/compound/570360

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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/C36H43N3O6S/c1-23-11-10-12-24(2)31(23)45-20-29(41)37-21-36(44,18-17-25-13-6-5-7-14-25)34(43)39-22-46-35(3,4)32(39)33(42)38-30-27-16-9-8-15-26(27)19-28(30)40/h5-16,28,30,32,40,44H,17-22H2,1-4H3,(H,37,41)(H,38,42)/t28-,30+,32+,36+/m1/s1
chemicalCompound:standardIn...	BEPHSJYICUTSMY-VAFIZMJSSA-N
chemicalCompound:canonicalS...	Cc1cccc(C)c1OCC(=O)NC[C@@](O)(CCc2ccccc2)C(=O)N3CSC(C)(C)[C@@H]3C(=O)N[C@@H]4[C@H](O)Cc5ccccc45
chemicalCompound:molecularF...	C36H43N3O6S
chemicalCompound:moleculeId	570360
chemicalCompound:mwFreebase	645.808
chemicalCompound:alogp	4.399
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	153.49
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.491
chemicalCompound:acdLogP	7.01
chemicalCompound:acdLogD	7.01
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	645.808
chemicalCompound:chemblId	CHEMBL575150
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:670360
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:2916809, activity:2916821, activity:2916866, activity:2916867, activity:2916868, activity:2916869, activity:2916870, activity:2916871