950476

Source:http://linkedlifedata.com/resource/chembl/compound/950476

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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/C16H14ClN3O2/c1-22-15-7-6-12(8-13(15)17)19-10-16(21)20-14-5-3-2-4-11(14)9-18/h2-8,19H,10H2,1H3,(H,20,21)
chemicalCompound:standardIn...	VOTNDVPENZDXTQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(NCC(=O)Nc2ccccc2C#N)cc1Cl
chemicalCompound:molecularF...	C16H14ClN3O2
chemicalCompound:moleculeId	950476
chemicalCompound:mwFreebase	315.754
chemicalCompound:alogp	2.802
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	74.15
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.946
chemicalCompound:acdLogP	2.183
chemicalCompound:acdLogD	2.183
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	315.754
chemicalCompound:acdMostBpk...	2.95
chemicalCompound:chemblId	CHEMBL1526592
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1050476
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:4011102, activity:4127028, activity:4211583, activity:4413409, activity:4807678, activity:4910053, activity:5707664, activity:5869732, activity:6466883, activity:6869971