22972

Source:http://linkedlifedata.com/resource/chembl/compound/22972

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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/C11H11N5O2/c12-10-8(6-14-11(13)15-10)5-7-1-3-9(4-2-7)16(17)18/h1-4,6H,5H2,(H4,12,13,14,15)
chemicalCompound:standardIn...	AIZLSGCCJQCUJL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1ncc(Cc2ccc(cc2)[N+](=O)[O-])c(N)n1
chemicalCompound:molecularF...	C11 H11 N5 O2
chemicalCompound:moleculeId	22972
chemicalCompound:mwFreebase	245.237
chemicalCompound:alogp	1.487
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	123.63
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1.271
chemicalCompound:acdLogD	1.173
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	245.237
chemicalCompound:acdMostBpk...	6.793
chemicalCompound:chemblId	CHEMBL19414
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:122972
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:70847, activity:70848, activity:117709, activity:357504, activity:428877, activity:428878, activity:499753, activity:499754, activity:576292, activity:633747, activity:643771, activity:650512, activity:727220, activity:727221, activity:892485, activity:961912, activity:961913, activity:961914, activity:1003951, activity:1003952, activity:1003953, activity:1004167, activity:1004168, activity:1004169, activity:1004170, activity:1092876, activity:1092877