814093

Source:http://linkedlifedata.com/resource/chembl/compound/814093

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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/C13H11ClN2O2/c14-9-4-1-3-8(7-9)13-15-12-10(16(13)18)5-2-6-11(12)17/h1,3-4,7,18H,2,5-6H2
chemicalCompound:standardIn...	LEBAYWLUMGYWRX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	On1c2CCCC(=O)c2nc1c3cccc(Cl)c3
chemicalCompound:molecularF...	C13H11ClN2O2
chemicalCompound:moleculeId	814093
chemicalCompound:mwFreebase	262.692
chemicalCompound:alogp	1
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	55.12
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.31
chemicalCompound:acdLogP	3.144
chemicalCompound:acdLogD	3.139
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	262.692
chemicalCompound:acdMostBpk...	1.917
chemicalCompound:chemblId	CHEMBL1390209
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:914093
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:3743357, activity:4193107, activity:4816940, activity:6637665, activity:7137329, activity:7561197