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: | 44 | |
|---|---|---|
| Name: | R065-1254 | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C31H30N2O5S/c1-36-17-15-32(16-18-37-2)30(34)27-20-26(31(35)33-14-12-24-13-19-39-29(24)28(27)33)23-8-10-25(11-9-23)38-21-22-6-4-3-5-7-22/h3-14,19-20H,15-18,21H2,1-2H3 |
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) |