Abraham, M. H.; Ibrahim, A.; Zhao, Y.; Acree, W. E. A data base for partition of volatile organic compounds and drugs from blood/plasma/serum to brain, and an LFER analysis of the data. J. Pharm. Sci. 2006, 95, 10, 2091–2100.
Compound
| ID: | 317 | |
|---|---|---|
| Name: | BBCPD20 | |
| Description: | Systematic name: N-(3-(3-(1-Piperidinylmethyl)phenoxy)propyl)acetamide | |
| Labels: | Blood, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C17H26N2O2/c1-15(20)18-9-6-12-21-17-8-5-7-16(13-17)14-19-10-3-2-4-11-19/h5,7-8,13H,2-4,6,9-12,14H2,1H3,(H,18,20) |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| -0.46 |
experimental value |
| -0.030 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| -0.0094 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |