56576

Source:http://linkedlifedata.com/resource/chembl/compound/56576

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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/C12H13N3O2/c1-15(2)9-5-3-8(4-6-9)7-10-11(16)14-12(17)13-10/h3-7H,1-2H3,(H2,13,14,16,17)/b10-7-
chemicalCompound:standardIn...	KLVRHZIOWMWJOC-YFHOEESVSA-N
chemicalCompound:canonicalS...	CN(C)c1ccc(\C=C\2/NC(=O)NC2=O)cc1
chemicalCompound:molecularF...	C12H13N3O2
chemicalCompound:moleculeId	56576
chemicalCompound:mwFreebase	231.251
chemicalCompound:alogp	0.899
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	61.44
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.137
chemicalCompound:acdLogP	0.915
chemicalCompound:acdLogD	0.914
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	231.251
chemicalCompound:acdMostBpk...	3.156
chemicalCompound:chemblId	CHEMBL287938
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:156576
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:615819, activity:615820, activity:2992784, activity:8053314, activity:8054106, activity:8054269, activity:8055004