15631

Source:http://linkedlifedata.com/resource/chembl/compound/15631

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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/C18H25N3O2/c1-14(21-11-7-10-20-21)16-8-5-6-9-17(16)23-13-15(22)12-19-18(2,3)4/h5-11,15,19,22H,1,12-13H2,2-4H3
chemicalCompound:standardIn...	JXPMOHORRCTRTH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(C)NCC(O)COc1ccccc1C(=C)n2cccn2
chemicalCompound:molecularF...	C18 H25 N3 O2
chemicalCompound:moleculeId	15631
chemicalCompound:mwFreebase	315.41
chemicalCompound:alogp	2.319
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	59.31
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.853
chemicalCompound:acdLogP	4.218
chemicalCompound:acdLogD	2.08
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	315.41
chemicalCompound:acdMostBpk...	9.477
chemicalCompound:chemblId	CHEMBL15206
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:115631
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:93003, activity:93004, activity:93005, activity:93006, activity:93007, activity:93008