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: | 48 | |
|---|---|---|
| Name: | Mezlocilline | |
| Description: | ||
| Labels: | ||
| CAS: | 51481-65-3 | |
| InChi Code: | InChI=1S/C21H25N5O8S2/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30)/t12-,13-,14+,17-/m1/s1 |
Properties
CI: Clearance Index
| Value | Source or prediction |
|---|---|
| 0.14 |
experimental value |
| 0.05934 |
Eq.3: QSAR model to predict placental transfer (Training set) |