1012294

Source:http://linkedlifedata.com/resource/chembl/compound/1012294

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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/C16H13N3O4/c1-8-12(14(20)22-2)16(10(7-17)13(18)23-8)9-5-3-4-6-11(9)19-15(16)21/h3-6H,18H2,1-2H3,(H,19,21)
chemicalCompound:standardIn...	VAFPLRVGDUHTRR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)C1=C(C)OC(=C(C#N)C12C(=O)Nc3ccccc23)N
chemicalCompound:molecularF...	C16H13N3O4
chemicalCompound:moleculeId	1012294
chemicalCompound:mwFreebase	311.292
chemicalCompound:alogp	0.289
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	114.44
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	10.153
chemicalCompound:acdLogP	0
chemicalCompound:acdLogD	-0.001
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	311.292
chemicalCompound:acdMostBpk...	1.045
chemicalCompound:chemblId	CHEMBL1588410
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1112294
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:4403534, activity:4616125, activity:7091307