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: | 67 | |
|---|---|---|
| Name: | SR49059 | |
| Description: | ||
| Labels: | ||
| CAS: | 359761-91-4 | |
| InChi Code: | InChI=1/C28H27Cl2N3O7S/c1-39-23-12-10-17(15-24(23)40-2)41(37,38)33-21-11-9-16(29)14-19(21)28(36,18-6-3-4-7-20(18)30)25(33)27(35)32-13-5-8-22(32)26(31)34/h3-4,6-7,9-12,14-15,22,25,36H,5,8,13H2,1-2H3,(H2,31,34) |
Properties
CI: Clearance Index
| Value | Source or prediction |
|---|---|
| 0.25 |
experimental value |
| 0.48329 |
Eq.3: QSAR model to predict placental transfer (Training set) |