15312

Source:http://linkedlifedata.com/resource/chembl/compound/15312

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/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3
chemicalCompound:standardIn...	MXYUKLILVYORSK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1C(CC(O)c2ccccc2)CCCC1CC(=O)c3ccccc3
chemicalCompound:molecularF...	C22 H27 N O2
chemicalCompound:moleculeId	15312
chemicalCompound:mwFreebase	337.455
chemicalCompound:alogp	3.933
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	40.54
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.611
chemicalCompound:acdLogD	1.376
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	337.455
chemicalCompound:acdMostBpk...	9.782
chemicalCompound:chemblId	CHEMBL15476
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:115312
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	LOBELINE
chemicalCompound:activity	activity:393685, activity:1210140, activity:1210141, activity:1768631, activity:1768632, activity:1768633, activity:1768634, activity:1768635, activity:1768668, activity:1768669, activity:2922382, activity:2922402, activity:2922422, activity:3108932, activity:3108949, activity:3108998, activity:3109006, activity:3109019, activity:3109020, activity:3109084, activity:4210779, activity:4414542, activity:5328985, activity:6842170, activity:7180472