499244

Source:http://linkedlifedata.com/resource/chembl/compound/499244

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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/C16H23N3O6/c20-11-9-13(21)12(14(22)10-11)7-8-17-18-15(23)5-3-1-2-4-6-16(24)19-25/h7-10,17,20-22,25H,1-6H2,(H,18,23)(H,19,24)/b8-7+
chemicalCompound:standardIn...	BOHOOUAOHYWRSI-BQYQJAHWSA-N
chemicalCompound:canonicalS...	ONC(=O)CCCCCCC(=O)NN\C=C\c1c(O)cc(O)cc1O
chemicalCompound:molecularF...	C16H23N3O6
chemicalCompound:moleculeId	499244
chemicalCompound:mwFreebase	353.37
chemicalCompound:alogp	0.729
chemicalCompound:hba	7
chemicalCompound:hbd	7
chemicalCompound:psa	151.14
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.567
chemicalCompound:acdLogP	1.64
chemicalCompound:acdLogD	1.594
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	353.37
chemicalCompound:acdMostBpk...	1.876
chemicalCompound:chemblId	CHEMBL490228
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:599244
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:2401907, activity:2401908, activity:2401909, activity:2401963