494939

Source:http://linkedlifedata.com/resource/chembl/compound/494939

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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/C21H21ClN6O/c1-27-6-8-28(9-7-27)13-3-5-16-17(11-13)25-20(24-16)18-19(23)14-10-12(22)2-4-15(14)26-21(18)29/h2-5,10-11H,6-9H2,1H3,(H,24,25)(H3,23,26,29)
chemicalCompound:standardIn...	ZDEYUKODQZFZIK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1CCN(CC1)c2ccc3[nH]c(nc3c2)C4=C(N)c5cc(Cl)ccc5NC4=O
chemicalCompound:molecularF...	C21H21ClN6O
chemicalCompound:moleculeId	494939
chemicalCompound:mwFreebase	408.884
chemicalCompound:alogp	2.24
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	90.27
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.455
chemicalCompound:acdLogP	0.865
chemicalCompound:acdLogD	0.396
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	408.884
chemicalCompound:acdMostBpk...	7.643
chemicalCompound:chemblId	CHEMBL523745
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:594939
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:2250142, activity:2250188, activity:2250235, activity:2250263