246659

Source:http://linkedlifedata.com/resource/chembl/compound/246659

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:246659_PNU-171933_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C17H15FN4O3/c1-11(23)20-8-14-10-22(17(24)25-14)13-2-3-16(15(18)6-13)21-5-4-12(7-19)9-21/h2-6,9,14H,8,10H2,1H3,(H,20,23)/t14-/m0/s1
chemicalCompound:standardIn...	AUSXUKWTTCOLJV-AWEZNQCLSA-N
chemicalCompound:canonicalS...	CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(F)c2)n3ccc(c3)C#N
chemicalCompound:molecularF...	C17 H15 F N4 O3
chemicalCompound:moleculeId	246659
chemicalCompound:mwFreebase	342.324
chemicalCompound:alogp	1.799
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	87.35
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.503
chemicalCompound:acdLogD	1.503
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	342.324
chemicalCompound:chemblId	CHEMBL147405
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:346659
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:920886, activity:920887, activity:920888, activity:920889, activity:920890, activity:920891, activity:920892, activity:920893, activity:920894, activity:920895, activity:920896, activity:920897, activity:920898, activity:920899, activity:920900, activity:920901, activity:920902, activity:920903, activity:920904, activity:920905, activity:1026394, activity:1026395, activity:1026396, activity:1026397, activity:1026398, activity:1026399, activity:1026400, activity:1026401, activity:1026402