132034

Source:http://linkedlifedata.com/resource/chembl/compound/132034

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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/C14H12FN5/c1-7-11(16)13-12(8(2)17-7)18-14(20-19-13)9-3-5-10(15)6-4-9/h3-6H,16H2,1-2H3
chemicalCompound:standardIn...	JAOCVEUXLCGBQW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1nc(C)c2nc(nnc2c1N)c3ccc(F)cc3
chemicalCompound:molecularF...	C14 H12 F N5
chemicalCompound:moleculeId	132034
chemicalCompound:mwFreebase	269.277
chemicalCompound:alogp	1.842
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	77.58
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.444
chemicalCompound:acdLogD	2.443
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	269.277
chemicalCompound:acdMostBpk...	4.822
chemicalCompound:chemblId	CHEMBL79751
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:232034
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:1066210, activity:1066211, activity:1066212, activity:1066213, activity:1066214, activity:1066215, activity:1066216, activity:1066217, activity:1066218