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:	50
	Name:	R065-8275
	Description:
	Labels:
	CAS:
	InChi Code:	InChI=1S/C26H26N2O4S/c1-31-13-12-27(16-17-7-8-17)25(29)21-15-20(19-5-3-4-6-22(19)32-2)26(30)28-11-9-18-10-14-33-24(18)23(21)28/h3-6,9-11,14-15,17H,7-8,12-13,16H2,1-2H3

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)