99362

Source:http://linkedlifedata.com/resource/chembl/compound/99362

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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/C12H11Cl2NO3/c13-6-3-8(14)12-7(1-2-11(17)18)10(5-16)15-9(12)4-6/h3-4,15-16H,1-2,5H2,(H,17,18)
chemicalCompound:standardIn...	MEKPSAMPTYQJTA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OCc1[nH]c2cc(Cl)cc(Cl)c2c1CCC(=O)O
chemicalCompound:molecularF...	C12 H11 Cl2 N O3
chemicalCompound:moleculeId	99362
chemicalCompound:mwFreebase	288.127
chemicalCompound:alogp	3.046
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	73.32
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.525
chemicalCompound:acdLogP	1.865
chemicalCompound:acdLogD	-0.926
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	288.127
chemicalCompound:chemblId	CHEMBL64680
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:199362
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:343166