15635

Source:http://linkedlifedata.com/resource/chembl/compound/15635

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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/c1-14-7-8-15(2)19(18(14)16(3)23-10-9-21-13-23)25-12-17(24)11-22-20(4,5)6/h7-10,13,17,22,24H,3,11-12H2,1-2,4-6H3
chemicalCompound:standardIn...	ZCNGEUDRECUQGP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(C)c(C(=C)n2ccnc2)c1OCC(O)CNC(C)(C)C
chemicalCompound:molecularF...	C20 H29 N3 O2
chemicalCompound:moleculeId	15635
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...	13.908
chemicalCompound:acdLogP	3.074
chemicalCompound:acdLogD	0.811
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	343.463
chemicalCompound:acdMostBpk...	9.582
chemicalCompound:chemblId	CHEMBL15516
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:115635
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:72982, activity:72983, activity:72984