979534

Source:http://linkedlifedata.com/resource/chembl/compound/979534

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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/C14H10ClF3N2O2/c15-9-3-1-8(2-4-9)7-20-11(14(16,17)18)6-5-10(12(19)21)13(20)22/h1-6H,7H2,(H2,19,21)
chemicalCompound:standardIn...	GXTNYCWWOWHQDO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=O)C1=CC=C(N(Cc2ccc(Cl)cc2)C1=O)C(F)(F)F
chemicalCompound:molecularF...	C14H10ClF3N2O2
chemicalCompound:moleculeId	979534
chemicalCompound:mwFreebase	330.69
chemicalCompound:alogp	2.264
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	63.4
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.267
chemicalCompound:acdLogP	1.637
chemicalCompound:acdLogD	1.637
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	330.69
chemicalCompound:chemblId	CHEMBL1555650
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1079534
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:3632571, activity:4082729, activity:4765510, activity:5396308, activity:5426553, activity:5514309, activity:5801172, activity:6588952, activity:7056506, activity:7490985