430471

Source:http://linkedlifedata.com/resource/chembl/compound/430471

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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/C17H14FN5O4/c18-11-5-8(1-4-13(11)24)10-3-2-9(6-14(10)25)23-7-12(21-17(20)27)15(22-23)16(19)26/h1-7,24-25H,(H2,19,26)(H3,20,21,27)
chemicalCompound:standardIn...	OJDXZMSTKRWOLB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=O)Nc1cn(nc1C(=O)N)c2ccc(c(O)c2)c3ccc(O)c(F)c3
chemicalCompound:molecularF...	C17 H14 F N5 O4
chemicalCompound:moleculeId	430471
chemicalCompound:mwFreebase	371.323
chemicalCompound:alogp	1.637
chemicalCompound:hba	5
chemicalCompound:hbd	5
chemicalCompound:psa	156.48
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.306
chemicalCompound:acdLogP	2.254
chemicalCompound:acdLogD	2.162
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	371.323
chemicalCompound:chemblId	CHEMBL259074
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:530471
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:2125450, activity:2125467