522067

Source:http://linkedlifedata.com/resource/chembl/compound/522067

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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/C17H13N3O6/c1-26-13-4-2-12(3-5-13)19-17(23)11(9-18)6-10-7-14(20(24)25)16(22)15(21)8-10/h2-8,21-22H,1H3,(H,19,23)/b11-6+
chemicalCompound:standardIn...	UNVKGCDUNPZDNN-IZZDOVSWSA-N
chemicalCompound:canonicalS...	COc1ccc(NC(=O)\C(=C\c2cc(O)c(O)c(c2)[N+](=O)[O-])\C#N)cc1
chemicalCompound:molecularF...	C17H13N3O6
chemicalCompound:moleculeId	522067
chemicalCompound:mwFreebase	355.302
chemicalCompound:alogp	2.315
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	148.4
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	5.039
chemicalCompound:acdLogP	2.64
chemicalCompound:acdLogD	0.565
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	355.302
chemicalCompound:acdMostBpk...	1
chemicalCompound:chemblId	CHEMBL470621
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:622067
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:2413421, activity:2413422, activity:2413423, activity:2413424