966679

Source:http://linkedlifedata.com/resource/chembl/compound/966679

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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/C17H17ClN4O2/c1-12(21-22-17(24)15-8-4-5-9-19-15)10-16(23)20-11-13-6-2-3-7-14(13)18/h2-9H,10-11H2,1H3,(H,20,23)(H,22,24)
chemicalCompound:standardIn...	DXZDARVHKWZJAK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=NNC(=O)c1ccccn1)CC(=O)NCc2ccccc2Cl
chemicalCompound:molecularF...	C17H17ClN4O2
chemicalCompound:moleculeId	966679
chemicalCompound:mwFreebase	344.795
chemicalCompound:alogp	1.904
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	83.45
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.402
chemicalCompound:acdLogP	2.121
chemicalCompound:acdLogD	2.121
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	344.795
chemicalCompound:acdMostBpk...	2.412
chemicalCompound:chemblId	CHEMBL1542795
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1066679
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:3818092, activity:4935253, activity:5409357, activity:5540605, activity:5560131, activity:5873148, activity:6716440, activity:7033686, activity:7169110, activity:7508693