406725

Source:http://linkedlifedata.com/resource/chembl/compound/406725

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C18H29N3O6/c1-2-3-4-5-6-7-8-14(23)27-16-15(24)12(11-22)26-17(16)21-10-9-13(19)20-18(21)25/h9-10,12,15-17,22,24H,2-8,11H2,1H3,(H2,19,20,25)/t12-,15-,16+,17-/m1/s1
chemicalCompound:standardIn...	ZWFXTBCMBWKCBF-VDNDLQMASA-N
chemicalCompound:canonicalS...	CCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1N2C=CC(=NC2=O)N
chemicalCompound:molecularF...	C18 H29 N3 O6
chemicalCompound:moleculeId	406725
chemicalCompound:mwFreebase	383.439
chemicalCompound:alogp	1.387
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	134.68
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.974
chemicalCompound:acdLogP	1.624
chemicalCompound:acdLogD	1.623
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	383.439
chemicalCompound:acdMostBpk...	4.263
chemicalCompound:chemblId	CHEMBL400234
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:506725
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:2024105, activity:2024133, activity:2024161, activity:2024189, activity:2024217