262269

Source:http://linkedlifedata.com/resource/chembl/compound/262269

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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/C12H15N3O/c1-2-11(16)15-12-13-8-10(14-12)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H2,13,14,15,16)
chemicalCompound:standardIn...	ZQUFLFOYRQRRCD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC(=O)NC1=NC(CN1)c2ccccc2
chemicalCompound:molecularF...	C12 H15 N3 O
chemicalCompound:moleculeId	262269
chemicalCompound:mwFreebase	217.267
chemicalCompound:alogp	1.511
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	53.49
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.841
chemicalCompound:acdLogP	1.686
chemicalCompound:acdLogD	1.594
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	217.267
chemicalCompound:acdMostBpk...	7.022
chemicalCompound:chemblId	CHEMBL158894
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:362269
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:798097, activity:798098, activity:798099, activity:798100, activity:798101, activity:798102