495212

Source:http://linkedlifedata.com/resource/chembl/compound/495212

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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/C21H22N6O/c1-26-8-10-27(11-9-26)13-6-7-15-14(12-13)19(22)18(21(28)25-15)20-23-16-4-2-3-5-17(16)24-20/h2-7,12H,8-11H2,1H3,(H,23,24)(H3,22,25,28)
chemicalCompound:standardIn...	NZDKMYJOLQKUML-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1CCN(CC1)c2ccc3NC(=O)C(=C(N)c3c2)c4nc5ccccc5[nH]4
chemicalCompound:molecularF...	C21H22N6O
chemicalCompound:moleculeId	495212
chemicalCompound:mwFreebase	374.439
chemicalCompound:alogp	1.576
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	90.27
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.8
chemicalCompound:acdLogP	-0.322
chemicalCompound:acdLogD	-0.798
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	374.439
chemicalCompound:acdMostBpk...	7.688
chemicalCompound:chemblId	CHEMBL457985
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:595212
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:2250168, activity:2250207, activity:2250247