52801

Source:http://linkedlifedata.com/resource/chembl/compound/52801

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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/C16H11ClN2O2/c1-10(15(20)11-6-8-12(17)9-7-11)19-14-5-3-2-4-13(14)18-16(19)21/h2-9H,1H2,(H,18,21)
chemicalCompound:standardIn...	XEWYGWIYNKULLM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1nc2ccccc2n1C(=C)C(=O)c3ccc(Cl)cc3
chemicalCompound:molecularF...	C16 H11 Cl N2 O2
chemicalCompound:moleculeId	52801
chemicalCompound:mwFreebase	298.724
chemicalCompound:alogp	4.233
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	55.12
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	0.145
chemicalCompound:acdLogP	3.951
chemicalCompound:acdLogD	1.627
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	298.724
chemicalCompound:acdMostBpk...	6.135
chemicalCompound:chemblId	CHEMBL432267
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:152801
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:34535, activity:34536, activity:34537