570363

Source:http://linkedlifedata.com/resource/chembl/compound/570363

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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/C35H41N3O6S/c1-22-11-10-12-23(2)30(22)44-19-28(40)36-20-35(43,18-24-13-6-5-7-14-24)33(42)38-21-45-34(3,4)31(38)32(41)37-29-26-16-9-8-15-25(26)17-27(29)39/h5-16,27,29,31,39,43H,17-21H2,1-4H3,(H,36,40)(H,37,41)/t27-,29+,31+,35-/m1/s1
chemicalCompound:standardIn...	PZCSYTKHAKPNOQ-RVFPNTRESA-N
chemicalCompound:canonicalS...	Cc1cccc(C)c1OCC(=O)NC[C@](O)(Cc2ccccc2)C(=O)N3CSC(C)(C)[C@@H]3C(=O)N[C@@H]4[C@H](O)Cc5ccccc45
chemicalCompound:molecularF...	C35H41N3O6S
chemicalCompound:moleculeId	570363
chemicalCompound:mwFreebase	631.782
chemicalCompound:alogp	3.943
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	153.49
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.626
chemicalCompound:acdLogP	5.942
chemicalCompound:acdLogD	5.942
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	631.782
chemicalCompound:chemblId	CHEMBL584192
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:670363
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:2916812, activity:2916825, activity:2916828, activity:2916884, activity:2916885, activity:2916886, activity:2916887, activity:2916888, activity:2916889