132929

Source:http://linkedlifedata.com/resource/chembl/compound/132929

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/C9H8N2O2/c12-10-8-5-6-11(13)9-4-2-1-3-7(8)9/h1-6,10,12H
chemicalCompound:standardIn...	XGXCMUKDRZHNCO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	ONc1cc[n+]([O-])c2ccccc12
chemicalCompound:molecularF...	C9H8N2O2
chemicalCompound:moleculeId	132929
chemicalCompound:mwFreebase	176.172
chemicalCompound:alogp	0.952
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	57.72
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.593
chemicalCompound:acdLogP	0
chemicalCompound:acdLogD	-0.067
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	176.172
chemicalCompound:acdMostBpk...	3.163
chemicalCompound:chemblId	CHEMBL312722
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:232929
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:28469
chemicalCompound:activity	activity:255564, activity:255565, activity:255566, activity:255567, activity:255568