692514

Source:http://linkedlifedata.com/resource/chembl/compound/692514

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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/C14H7F6N3O/c15-13(16,17)7-3-1-2-6(4-7)11-10-8(14(18,19)20)5-9(24)21-12(10)23-22-11/h1-5H,(H2,21,22,23,24)
chemicalCompound:standardIn...	YEINPIKXEQEWSU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	FC(F)(F)C1=CC(=O)Nc2[nH]nc(c3cccc(c3)C(F)(F)F)c12
chemicalCompound:molecularF...	C14H7F6N3O
chemicalCompound:moleculeId	692514
chemicalCompound:mwFreebase	347.215
chemicalCompound:alogp	3.612
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	57.78
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.345
chemicalCompound:acdLogP	3.08
chemicalCompound:acdLogD	3.079
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	347.215
chemicalCompound:chemblId	CHEMBL1230164
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:792514
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:9535920, activity:9548191, activity:9583875, activity:9627590, activity:9649016, activity:9681737