15590

Source:http://linkedlifedata.com/resource/chembl/compound/15590

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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/C16H21N3O2/c1-13(19-9-8-17-12-19)15-6-4-5-7-16(15)21-11-14(20)10-18(2)3/h4-9,12,14,20H,1,10-11H2,2-3H3
chemicalCompound:standardIn...	UKKWCLWCSWTKLJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)CC(O)COc1ccccc1C(=C)n2ccnc2
chemicalCompound:molecularF...	C16 H21 N3 O2
chemicalCompound:moleculeId	15590
chemicalCompound:mwFreebase	287.357
chemicalCompound:alogp	1.367
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	50.52
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.928
chemicalCompound:acdLogP	1.681
chemicalCompound:acdLogD	0.573
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	287.357
chemicalCompound:acdMostBpk...	8.684
chemicalCompound:chemblId	CHEMBL15311
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:115590
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:72976, activity:72977, activity:72978, activity:72979, activity:72980, activity:72981