788621

Source:http://linkedlifedata.com/resource/chembl/compound/788621

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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/C17H17ClN6/c1-11-8-16(22-19-10-14-5-4-6-15(18)9-14)21-17(20-11)24-13(3)7-12(2)23-24/h4-10H,1-3H3,(H,20,21,22)
chemicalCompound:standardIn...	YIOUNHISXQMMEG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(NN=Cc2cccc(Cl)c2)nc(n1)n3nc(C)cc3C
chemicalCompound:molecularF...	C17H17ClN6
chemicalCompound:moleculeId	788621
chemicalCompound:mwFreebase	340.81
chemicalCompound:alogp	4.331
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	67.99
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.933
chemicalCompound:acdLogP	5.111
chemicalCompound:acdLogD	5.107
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	340.81
chemicalCompound:acdMostBpk...	4.637
chemicalCompound:chemblId	CHEMBL1364737
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:888621
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:3634340, activity:3723793, activity:3769295, activity:4089815, activity:4244448, activity:4885647, activity:4970952, activity:5460876, activity:5906485, activity:6583426, activity:6749764, activity:6891928, activity:7038320, activity:7178123, activity:7334574, activity:7509729