313785

Source:http://linkedlifedata.com/resource/chembl/compound/313785

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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/C13H12N2O5/c1-19-10-4-2-9(3-5-10)8-14-13(16)11-6-7-12(20-11)15(17)18/h2-7H,8H2,1H3,(H,14,16)
chemicalCompound:standardIn...	UZCSGUXZTYSOQS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(CNC(=O)c2oc(cc2)[N+](=O)[O-])cc1
chemicalCompound:molecularF...	C13 H12 N2 O5
chemicalCompound:moleculeId	313785
chemicalCompound:mwFreebase	276.245
chemicalCompound:alogp	2.019
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	97.29
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.483
chemicalCompound:acdLogP	1.305
chemicalCompound:acdLogD	1.305
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	276.245
chemicalCompound:chemblId	CHEMBL363657
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:413785
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:1470654, activity:1470655, activity:1470656, activity:1470657, activity:1470658, activity:4801340, activity:4909557, activity:5329519