56167

Source:http://linkedlifedata.com/resource/chembl/compound/56167

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C12H9N3O2/c16-11-10(14-12(17)15-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-6,13H,(H2,14,15,16,17)/b10-5-
chemicalCompound:standardIn...	WJZHVBZSCOLDKV-YHYXMXQVSA-N
chemicalCompound:canonicalS...	O=C1NC(=O)\C(=C\c2c[nH]c3ccccc23)\N1
chemicalCompound:molecularF...	C12 H9 N3 O2
chemicalCompound:moleculeId	56167
chemicalCompound:mwFreebase	227.219
chemicalCompound:alogp	1.03
chemicalCompound:hba	2
chemicalCompound:hbd	3
chemicalCompound:psa	73.98
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.988
chemicalCompound:acdLogP	1.002
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	227.219
chemicalCompound:chemblId	CHEMBL38739
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:156167
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:617192, activity:617193, activity:5416504, activity:5459052, activity:6270664, activity:7021198, activity:8053306, activity:8054098, activity:8054261, activity:8054996, activity:10646896