88273

Source:http://linkedlifedata.com/resource/chembl/compound/88273

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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/C17H12F4N4O/c18-15(19)17(20,21)26-13-3-1-2-12(10-13)24-16-23-9-6-14(25-16)11-4-7-22-8-5-11/h1-10,15H,(H,23,24,25)
chemicalCompound:standardIn...	RUZDLQFYMAFCOE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	FC(F)C(F)(F)Oc1cccc(Nc2nccc(n2)c3ccncc3)c1
chemicalCompound:molecularF...	C17 H12 F4 N4 O
chemicalCompound:moleculeId	88273
chemicalCompound:mwFreebase	364.297
chemicalCompound:alogp	3.761
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	59.93
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.939
chemicalCompound:acdLogD	3.939
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	364.297
chemicalCompound:acdMostBpk...	1.473
chemicalCompound:chemblId	CHEMBL55662
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:188273
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:940388, activity:940389, activity:940390, activity:940391, activity:940392, activity:940393, activity:940394