13393

Source:http://linkedlifedata.com/resource/chembl/compound/13393

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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/C10H9N3O2/c14-13(15)10-3-1-9(2-4-10)7-12-6-5-11-8-12/h1-6,8H,7H2
chemicalCompound:standardIn...	FLYGQJXMRPZYHQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	[O-][N+](=O)c1ccc(Cn2ccnc2)cc1
chemicalCompound:molecularF...	C10 H9 N3 O2
chemicalCompound:moleculeId	13393
chemicalCompound:mwFreebase	203.197
chemicalCompound:alogp	1.401
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	63.64
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1.27
chemicalCompound:acdLogD	1.218
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	203.197
chemicalCompound:acdMostBpk...	6.503
chemicalCompound:chemblId	CHEMBL13784
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:113393
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:90074, activity:90075, activity:90076, activity:90077, activity:1758525, activity:1758541, activity:1845851, activity:2706454