125406

Source:http://linkedlifedata.com/resource/chembl/compound/125406

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:125406_Olvanil_OTHER
chemicalCompound:standardIn...	InChI=1S/C26H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(29)27-22-23-19-20-24(28)25(21-23)30-2/h10-11,19-21,28H,3-9,12-18,22H2,1-2H3,(H,27,29)/b11-10-
chemicalCompound:standardIn...	OPZKBPQVWDSATI-KHPPLWFESA-N
chemicalCompound:canonicalS...	CCCCCCCC\C=C/CCCCCCCC(=O)NCc1ccc(O)c(OC)c1
chemicalCompound:molecularF...	C26 H43 N O3
chemicalCompound:moleculeId	125406
chemicalCompound:mwFreebase	417.625
chemicalCompound:alogp	7.764
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	58.56
chemicalCompound:rtb	18
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.765
chemicalCompound:acdLogP	7.378
chemicalCompound:acdLogD	7.376
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	417.625
chemicalCompound:chemblId	CHEMBL76903
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:225406
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	OLEYL VANILLYLAMIDE
chemicalCompound:activity	activity:83361, activity:949538, activity:949539, activity:949540, activity:949541, activity:949542, activity:1201606, activity:1201607, activity:2821386, activity:2837606, activity:2839549, activity:2860513, activity:2862376, activity:2881419, activity:3618524, activity:3919405, activity:3963227, activity:4056575, activity:4522746, activity:4678987, activity:4813097, activity:4834599, activity:4882752, activity:4949751, activity:5010363, activity:5078777, activity:5234408, activity:5234488, activity:5234546, activity:5234559, activity:5234572, activity:5570172, activity:5699575, activity:5802476, activity:6000137, activity:6013531, activity:6027113, activity:6029567, activity:6058680, activity:6688924, activity:6831056, activity:6849715, activity:7018316, activity:7040586, activity:7083957, activity:7326963, activity:7483229, activity:7553629, activity:7562860, activity:9004377, activity:9342584