254504

Source:http://linkedlifedata.com/resource/chembl/compound/254504

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/C7H9N3O2/c1-9-6(10(11)12)4-8-7(9)5-2-3-5/h4-5H,2-3H2,1H3
chemicalCompound:standardIn...	DQOYEOYSZVBYQN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cn1c(ncc1[N+](=O)[O-])C2CC2
chemicalCompound:molecularF...	C7 H9 N3 O2
chemicalCompound:moleculeId	254504
chemicalCompound:mwFreebase	167.165
chemicalCompound:alogp	0.96
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	63.64
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	167.165
chemicalCompound:acdMostBpk...	2.809
chemicalCompound:chemblId	CHEMBL347332
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:354504
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:934748, activity:934749, activity:934750, activity:934751, activity:934752, activity:934753, activity:934754, activity:934755, activity:934756, activity:934757, activity:934758, activity:934759