31867

Source:http://linkedlifedata.com/resource/chembl/compound/31867

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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/C9H11N3O/c10-4-3-7-6-11-9(12-7)8-2-1-5-13-8/h1-2,5-6H,3-4,10H2,(H,11,12)
chemicalCompound:standardIn...	HHVCWBVWEARUOQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NCCc1c[nH]c(n1)c2occc2
chemicalCompound:molecularF...	C9 H11 N3 O
chemicalCompound:moleculeId	31867
chemicalCompound:mwFreebase	177.203
chemicalCompound:alogp	0.606
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	67.84
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.742
chemicalCompound:acdLogP	0.4
chemicalCompound:acdLogD	-1.372
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	177.203
chemicalCompound:acdMostBpk...	9.163
chemicalCompound:chemblId	CHEMBL24000
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:131867
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:214526, activity:214527, activity:214528, activity:214529, activity:214530, activity:214531, activity:214532, activity:214533, activity:214534, activity:214535