960724

Source:http://linkedlifedata.com/resource/chembl/compound/960724

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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/C16H13ClN2O2/c1-21-12-6-7-13(15(20)8-12)16-14(9-18-19-16)10-2-4-11(17)5-3-10/h2-9,20H,1H3,(H,18,19)
chemicalCompound:standardIn...	KSGVQCLVXCCSCL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(c(O)c1)c2[nH]ncc2c3ccc(Cl)cc3
chemicalCompound:molecularF...	C16H13ClN2O2
chemicalCompound:moleculeId	960724
chemicalCompound:mwFreebase	300.74
chemicalCompound:alogp	4.008
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	58.14
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.019
chemicalCompound:acdLogP	4.22
chemicalCompound:acdLogD	4.211
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	300.74
chemicalCompound:acdMostBpk...	1.625
chemicalCompound:chemblId	CHEMBL1536840
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1060724
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:3942910, activity:4070069, activity:4211975, activity:4435054, activity:4444708, activity:4464278, activity:4532048, activity:4540172, activity:4789815, activity:4912674, activity:5571616, activity:5662388, activity:6578394, activity:6604066, activity:7052958, activity:7177246, activity:7280016