65617

Source:http://linkedlifedata.com/resource/chembl/compound/65617

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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/C10H12N2O4/c1-5-3-12-8-2-6(7(4-13)15-8)16-10(12)11-9(5)14/h3,6-8,13H,2,4H2,1H3
chemicalCompound:standardIn...	JCSNHEYOIASGKU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1=CN2C3CC(OC2=NC1=O)C(CO)O3
chemicalCompound:molecularF...	C10 H12 N2 O4
chemicalCompound:moleculeId	65617
chemicalCompound:mwFreebase	224.213
chemicalCompound:alogp	0.028
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	71.36
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.967
chemicalCompound:acdLogP	-0.504
chemicalCompound:acdLogD	-0.504
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	224.213
chemicalCompound:chemblId	CHEMBL289131
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:165617
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:219884, activity:219885, activity:219886, activity:5694884