399899

Source:http://linkedlifedata.com/resource/chembl/compound/399899

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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/C12H13N3O/c13-12-14-10(8-11(16)15-12)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,13,14,15,16)
chemicalCompound:standardIn...	CNBSPUGFNQVSJS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC1=NC(=CC(=O)N1)CCc2ccccc2
chemicalCompound:molecularF...	C12H13N3O
chemicalCompound:moleculeId	399899
chemicalCompound:mwFreebase	215.251
chemicalCompound:alogp	1.568
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	67.47
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.832
chemicalCompound:acdLogP	1.354
chemicalCompound:acdLogD	1.353
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	215.251
chemicalCompound:acdMostBpk...	3.387
chemicalCompound:chemblId	CHEMBL235821
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:499899
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:2005787, activity:2005788, activity:2005789, activity:2005814