406690

Source:http://linkedlifedata.com/resource/chembl/compound/406690

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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/C18H30N2O6/c1-3-4-5-6-7-8-9-25-15-14(22)13(11-21)26-17(15)20-10-12(2)16(23)19-18(20)24/h10,13-15,17,21-22H,3-9,11H2,1-2H3,(H,19,23,24)/t13-,14-,15+,17-/m1/s1
chemicalCompound:standardIn...	KSJKYOFITYMQNA-PNBKFKSVSA-N
chemicalCompound:canonicalS...	CCCCCCCCO[C@H]1[C@H](O)[C@@H](CO)O[C@H]1N2C=C(C)C(=O)NC2=O
chemicalCompound:molecularF...	C18 H30 N2 O6
chemicalCompound:moleculeId	406690
chemicalCompound:mwFreebase	370.441
chemicalCompound:alogp	1.558
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	108.33
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.551
chemicalCompound:acdLogP	3.159
chemicalCompound:acdLogD	3.155
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	370.441
chemicalCompound:chemblId	CHEMBL400411
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:506690
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:2024110, activity:2024153, activity:2024164, activity:2024191, activity:2024220