113017

Source:http://linkedlifedata.com/resource/chembl/compound/113017

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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/C19H24N2O6/c1-24-12-14-16(25-2)17(26-3)18(27-14)20-10-9-15(22)21(19(20)23)11-13-7-5-4-6-8-13/h4-10,14,16-18H,11-12H2,1-3H3
chemicalCompound:standardIn...	KGXQEEZFTMRUGZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COCC1OC(C(OC)C1OC)N2C=CC(=O)N(Cc3ccccc3)C2=O
chemicalCompound:molecularF...	C19 H24 N2 O6
chemicalCompound:moleculeId	113017
chemicalCompound:mwFreebase	376.404
chemicalCompound:alogp	0.564
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	77.54
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	0.887
chemicalCompound:acdLogD	0.887
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	376.404
chemicalCompound:chemblId	CHEMBL71843
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:213017
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:783416, activity:783417, activity:783418, activity:783419, activity:783420, activity:783421, activity:783422