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: | 1 | |
|---|---|---|
| Name: | 1,25-Dihydroxyvitamin D3 | |
| Description: | ||
| Labels: | ||
| CAS: | 32222-06-3 | |
| InChi Code: | InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 |
Properties
CI: Clearance Index
| Value | Source or prediction |
|---|---|
| 0.26 |
experimental value |
| 0.4197 |
Eq.3: QSAR model to predict placental transfer (Training set) |