839523

Source:http://linkedlifedata.com/resource/chembl/compound/839523

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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/C13H14N2O3/c1-2-18-13(17)9-10-8-12(16)15(14-10)11-6-4-3-5-7-11/h3-7H,2,8-9H2,1H3
chemicalCompound:standardIn...	YSNRXCNLMQFZGG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)CC1=NN(C(=O)C1)c2ccccc2
chemicalCompound:molecularF...	C13H14N2O3
chemicalCompound:moleculeId	839523
chemicalCompound:mwFreebase	246.262
chemicalCompound:alogp	1.508
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	58.97
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.426
chemicalCompound:acdLogD	0.426
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	246.262
chemicalCompound:acdMostBpk...	2.003
chemicalCompound:chemblId	CHEMBL1415639
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:939523
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:4231136, activity:4761086, activity:6544014, activity:6720502, activity:6864075, activity:7399290