64217

Source:http://linkedlifedata.com/resource/chembl/compound/64217

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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/C10H12FN5O4/c1-4-2-16(10(19)13-8(4)18)9-6(11)7(14-15-12)5(3-17)20-9/h2,5-7,9,17H,3H2,1H3,(H,13,18,19)
chemicalCompound:standardIn...	AVYGFRQPURLSLQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1=CN(C2OC(CO)C(N=[N+]=[N-])C2F)C(=O)NC1=O
chemicalCompound:molecularF...	C10 H12 F N5 O4
chemicalCompound:moleculeId	64217
chemicalCompound:mwFreebase	285.232
chemicalCompound:alogp	0.237
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	128.61
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.551
chemicalCompound:acdLogP	0.458
chemicalCompound:acdLogD	0.455
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	285.232
chemicalCompound:chemblId	CHEMBL295659
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:164217
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:199471, activity:199472, activity:214927, activity:214928, activity:214929, activity:229450, activity:400539, activity:400540, activity:834311, activity:834312, activity:834313, activity:834314, activity:834315, activity:834316, activity:834317, activity:834318