270983

Source:http://linkedlifedata.com/resource/chembl/compound/270983

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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/C12H13ClN2O2/c1-17-12(16)9(5-14)10-6-15-11-3-2-7(13)4-8(10)11/h2-4,6,9,15H,5,14H2,1H3
chemicalCompound:standardIn...	HWVJWLYZXNIOBW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)C(CN)c1c[nH]c2ccc(Cl)cc12
chemicalCompound:molecularF...	C12 H13 Cl N2 O2
chemicalCompound:moleculeId	270983
chemicalCompound:mwFreebase	252.697
chemicalCompound:alogp	1.76
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	68.11
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.533
chemicalCompound:acdLogD	1.073
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	252.697
chemicalCompound:acdMostBpk...	7.373
chemicalCompound:chemblId	CHEMBL161963
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:370983
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:1040560, activity:1040561, activity:1040562, activity:1040563, activity:1040564, activity:1040565, activity:1040566