197295

Source:http://linkedlifedata.com/resource/chembl/compound/197295

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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/C17H33N3O4/c1-8-9-10-13(11-20(24)12(2)21)15(22)18-14(17(3,4)5)16(23)19(6)7/h13-14,24H,8-11H2,1-7H3,(H,18,22)/t13-,14-/m1/s1
chemicalCompound:standardIn...	OVUVLGZNCONJBD-ZIAGYGMSSA-N
chemicalCompound:canonicalS...	CCCC[C@H](CN(O)C(=O)C)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
chemicalCompound:molecularF...	C17 H33 N3 O4
chemicalCompound:moleculeId	197295
chemicalCompound:mwFreebase	343.462
chemicalCompound:alogp	1.392
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	89.95
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.254
chemicalCompound:acdLogP	1.985
chemicalCompound:acdLogD	1.978
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	343.462
chemicalCompound:chemblId	CHEMBL119753
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:297295
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:634248, activity:634249, activity:634250