Ringeissen, S.; Marrot, L.; Note, R.; Labarussiat, A.; Imbert, S.; Todorov, M.; Mekenyan, O.; Meunier, J.-R. Development of a mechanistic SAR model for the detection of phototoxic chemicals and use in an integrated testing strategy. Toxicol. In Vitro 2011, 25, 324–334.
Compound
| ID: | 49 | |
|---|---|---|
| Name: | R019-8022 | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C25H21ClN2O3/c26-18-9-8-17-10-12-28-23(20(17)13-18)22(25(31)27-11-4-7-19(27)15-29)14-21(24(28)30)16-5-2-1-3-6-16/h1-3,5-6,8-10,12-14,19,29H,4,7,11,15H2 |
Properties
3T3_NRU_Phototoxicity: Neural red uptake phototoxicity: P - phototoxic, nP - non-phototoxic
| Value | Source or prediction |
|---|---|
| P |
experimental value |
| P |
Phototoxicity_window: Acute phototoxicity classifier based on HOMO-LUMO energy gap (EGAP) (Training set) |