1028574

Source:http://linkedlifedata.com/resource/chembl/compound/1028574

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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/C20H24N4O2S/c1-12-17(13-7-9-14(26-6)10-8-13)21-19(27-12)22-18(25)15-11-16(20(2,3)4)23-24(15)5/h7-11H,1-6H3,(H,21,22,25)
chemicalCompound:standardIn...	SKBYXPOHZGLAAR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)c2nc(NC(=O)c3cc(nn3C)C(C)(C)C)sc2C
chemicalCompound:molecularF...	C20H24N4O2S
chemicalCompound:moleculeId	1028574
chemicalCompound:mwFreebase	384.495
chemicalCompound:alogp	4.458
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	97.28
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.112
chemicalCompound:acdLogP	5.349
chemicalCompound:acdLogD	4.713
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	384.495
chemicalCompound:acdMostBpk...	2.574
chemicalCompound:chemblId	CHEMBL1604690
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1128574
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:3634643, activity:3713048, activity:3738190, activity:3774872, activity:3800952, activity:3877038, activity:3985186, activity:4109033, activity:4130085, activity:4205958, activity:4360118, activity:4396434, activity:4414231, activity:4525209, activity:4532003, activity:4647903, activity:4777524, activity:4811649, activity:4829139, activity:4990683, activity:5392342, activity:5397455, activity:5433500, activity:5584219, activity:5867272, activity:5868185, activity:6678943, activity:6775076, activity:6884651, activity:7305157, activity:7359543, activity:7482728, activity:7526677, activity:10466181, activity:10788545