112256

Source:http://linkedlifedata.com/resource/chembl/compound/112256

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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/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)
chemicalCompound:standardIn...	JWYUFVNJZUSCSM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1nc2ccccc2[nH]1
chemicalCompound:molecularF...	C7H7N3
chemicalCompound:moleculeId	112256
chemicalCompound:mwFreebase	133.151
chemicalCompound:alogp	1.14
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	54.7
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.41
chemicalCompound:acdLogP	1.15
chemicalCompound:acdLogD	0.926
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	133.151
chemicalCompound:acdMostBpk...	6.931
chemicalCompound:chemblId	CHEMBL305513
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:212256
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:27822
chemicalCompound:activity	activity:1125096, activity:1125097, activity:1133288, activity:1133289, activity:1133290, activity:1856921, activity:2298987, activity:2299045, activity:2299052, activity:3902764, activity:4146005, activity:4539190, activity:5657832, activity:6447142, activity:6562456, activity:7062807