15634

Source:http://linkedlifedata.com/resource/chembl/compound/15634

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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/C20H29N3O2/c1-14-9-15(2)19(25-12-17(24)11-22-20(4,5)6)18(10-14)16(3)23-8-7-21-13-23/h7-10,13,17,22,24H,3,11-12H2,1-2,4-6H3
chemicalCompound:standardIn...	SOHQLNWCVGOCAY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(C)c(OCC(O)CNC(C)(C)C)c(c1)C(=C)n2ccnc2
chemicalCompound:molecularF...	C20 H29 N3 O2
chemicalCompound:moleculeId	15634
chemicalCompound:mwFreebase	343.463
chemicalCompound:alogp	2.735
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	59.31
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.896
chemicalCompound:acdLogP	3.527
chemicalCompound:acdLogD	1.314
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	343.463
chemicalCompound:acdMostBpk...	9.524
chemicalCompound:chemblId	CHEMBL15454
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:115634
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:95930, activity:95931, activity:95932, activity:95933, activity:95934, activity:95935