Hewitt, M.; Madden, J.C.; Rowe, P.H.; Cronin, M.T.D. Structure-based modelling in reproductive toxicology: (Q)SARs for the placental barrier. SAR QSAR Environ. Res. 2007, 18, 57-76.
Compound
| ID: | 12 | |
|---|---|---|
| Name: | Amprenavir | |
| Description: | ||
| Labels: | ||
| CAS: | 161814-49-9 | |
| InChi Code: | InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1 |
Properties
CI: Clearance Index
| Value | Source or prediction |
|---|---|
| 0.14 |
experimental value |
| 0.22566 |
Eq.3: QSAR model to predict placental transfer (Training set) |