1108301

Source:http://linkedlifedata.com/resource/chembl/compound/1108301

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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/C15H14N2O4/c1-11(18)16-14-9-13(17(19)20)7-8-15(14)21-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,18)
chemicalCompound:standardIn...	XJHLYJDEPGQGSO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)Nc1cc(ccc1OCc2ccccc2)[N+](=O)[O-]
chemicalCompound:molecularF...	C15H14N2O4
chemicalCompound:moleculeId	1108301
chemicalCompound:mwFreebase	286.283
chemicalCompound:alogp	2.411
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	84.15
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.585
chemicalCompound:acdLogP	2.737
chemicalCompound:acdLogD	2.737
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	286.283
chemicalCompound:acdMostBpk...	0.025
chemicalCompound:chemblId	CHEMBL1727570
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1208301
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:5502585, activity:6761923, activity:7070356, activity:7468305