40978

Source:http://linkedlifedata.com/resource/chembl/compound/40978

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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/C11H12N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h1,4,7-9,14-15H,3,5H2,(H,12,16,17)
chemicalCompound:standardIn...	CDEURGJCGCHYFH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OCC1OC(CC1O)N2C=C(C#C)C(=O)NC2=O
chemicalCompound:molecularF...	C11 H12 N2 O5
chemicalCompound:moleculeId	40978
chemicalCompound:mwFreebase	252.223
chemicalCompound:alogp	-0.597
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	99.1
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.287
chemicalCompound:acdLogP	-0.604
chemicalCompound:acdLogD	-0.661
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	252.223
chemicalCompound:chemblId	CHEMBL284915
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:140978
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:115218, activity:115219, activity:115220, activity:115221, activity:115222, activity:115223, activity:115224, activity:115225, activity:227741, activity:227742, activity:610879, activity:610880