153779

Source:http://linkedlifedata.com/resource/chembl/compound/153779

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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/C37H38N2O3S/c1-25-21-30-33(42-24-29-17-16-28(23-38-29)27-14-8-5-9-15-27)19-18-31-34(30)35(43-25)32(22-37(2,3)36(40)41)39(31)20-10-13-26-11-6-4-7-12-26/h4-9,11-12,14-19,23,25H,10,13,20-22,24H2,1-3H3,(H,40,41)
chemicalCompound:standardIn...	KYKOSZKYSJMRQR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1Cc2c(OCc3ccc(cn3)c4ccccc4)ccc5c2c(S1)c(CC(C)(C)C(=O)O)n5CCCc6ccccc6
chemicalCompound:molecularF...	C37 H38 N2 O3 S
chemicalCompound:moleculeId	153779
chemicalCompound:mwFreebase	590.774
chemicalCompound:alogp	8.704
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	89.65
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.72
chemicalCompound:acdLogP	7.614
chemicalCompound:acdLogD	4.97
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	590.774
chemicalCompound:acdMostBpk...	3.648
chemicalCompound:chemblId	CHEMBL275474
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:253779
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:1148824, activity:1148825