266412

Source:http://linkedlifedata.com/resource/chembl/compound/266412

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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/C20H27N3O3/c1-13-4-7-16(8-5-13)23(3)12-14(2)22-11-19(25)15-6-9-18(24)17(10-15)20(21)26/h4-10,14,19,22,24-25H,11-12H2,1-3H3,(H2,21,26)
chemicalCompound:standardIn...	WEDJKWHKKHAKGC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(CN(C)c1ccc(C)cc1)NCC(O)c2ccc(O)c(c2)C(=O)N
chemicalCompound:molecularF...	C20 H27 N3 O3
chemicalCompound:moleculeId	266412
chemicalCompound:mwFreebase	357.447
chemicalCompound:alogp	2.291
chemicalCompound:hba	5
chemicalCompound:hbd	4
chemicalCompound:psa	98.82
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.202
chemicalCompound:acdLogP	3.045
chemicalCompound:acdLogD	1.836
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	357.447
chemicalCompound:acdMostBpk...	8.828
chemicalCompound:chemblId	CHEMBL161836
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:366412
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:142621, activity:142622, activity:142623