52313

Source:http://linkedlifedata.com/resource/chembl/compound/52313

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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/C14H11ClN2O3/c1-8(13(19)10-3-5-11(15)6-4-10)17-9(2)14(20)16-7-12(17)18/h3-7,9H,1H2,2H3
chemicalCompound:standardIn...	KFPRQADUFQGBRO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1N(C(=C)C(=O)c2ccc(Cl)cc2)C(=O)C=NC1=O
chemicalCompound:molecularF...	C14 H11 Cl N2 O3
chemicalCompound:moleculeId	52313
chemicalCompound:mwFreebase	290.702
chemicalCompound:alogp	1.974
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	66.81
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1.92
chemicalCompound:acdLogD	1.92
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	290.702
chemicalCompound:chemblId	CHEMBL286918
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:152313
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:38158, activity:38159, activity:38160