488545

Source:http://linkedlifedata.com/resource/chembl/compound/488545

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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/C10H11N3O/c1-13-9(11-12-10(13)14)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,14)
chemicalCompound:standardIn...	YXJSNUXLWJNSJF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1C(=O)NN=C1Cc2ccccc2
chemicalCompound:molecularF...	C10H11N3O
chemicalCompound:moleculeId	488545
chemicalCompound:mwFreebase	189.214
chemicalCompound:alogp	1.114
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	44.7
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.223
chemicalCompound:acdLogP	0.469
chemicalCompound:acdLogD	0.462
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	189.214
chemicalCompound:acdMostBpk...	3.135
chemicalCompound:chemblId	CHEMBL506764
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:588545
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:2564245, activity:2564294