1041798

Source:http://linkedlifedata.com/resource/chembl/compound/1041798

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C19H25N3O6/c1-5-26-17-14(22(24)25)11-13-12(3)15(28-16(13)18(17)27-6-2)19(23)21-9-7-20(4)8-10-21/h11H,5-10H2,1-4H3
chemicalCompound:standardIn...	KFZYUPYVMRZVKA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOc1c(OCC)c2oc(C(=O)N3CCN(C)CC3)c(C)c2cc1[N+](=O)[O-]
chemicalCompound:molecularF...	C19H25N3O6
chemicalCompound:moleculeId	1041798
chemicalCompound:mwFreebase	391.418
chemicalCompound:alogp	2.841
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	100.97
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1
chemicalCompound:acdLogD	0.929
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	391.418
chemicalCompound:acdMostBpk...	6.647
chemicalCompound:chemblId	CHEMBL1618847
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1141798
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No