261683

Source:http://linkedlifedata.com/resource/chembl/compound/261683

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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/C14H17N3O2/c1-17-12(16-13(18)19-2)15-9-14(17)8-7-10-5-3-4-6-11(10)14/h3-6H,7-9H2,1-2H3,(H,15,16,18)
chemicalCompound:standardIn...	QWKMUYIPORLBGT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)NC1=NCC2(CCc3ccccc23)N1C
chemicalCompound:molecularF...	C14 H17 N3 O2
chemicalCompound:moleculeId	261683
chemicalCompound:mwFreebase	259.304
chemicalCompound:alogp	2.081
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	53.93
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.093
chemicalCompound:acdLogP	1.773
chemicalCompound:acdLogD	1.009
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	259.304
chemicalCompound:acdMostBpk...	8.108
chemicalCompound:chemblId	CHEMBL157075
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:361683
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:805565, activity:805566, activity:805567, activity:805568, activity:805569, activity:805570