676362

Source:http://linkedlifedata.com/resource/chembl/compound/676362

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:9807
chemicalCompound:standardIn...	InChI=1S/C12H15N3O.ClH/c1-14(2)9-6-8-4-3-5-10-11(8)15(7-9)12(16)13-10;/h3-5,9H,6-7H2,1-2H3,(H,13,16);1H
chemicalCompound:standardIn...	BXKUFTKJISCDEI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CN(C)C1Cc2cccc3nc(O)n(C1)c23
chemicalCompound:molecularF...	C12H16ClN3O
chemicalCompound:moleculeId	676362
chemicalCompound:mwFreebase	217.267
chemicalCompound:alogp	2.093
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	41.29
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.359
chemicalCompound:acdLogP	1.589
chemicalCompound:acdLogD	0.401
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	253.728
chemicalCompound:acdMostBpk...	8.395
chemicalCompound:chemblId	CHEMBL1202411
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:776362
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:342579, activity:342580