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:	46
	Name:	R065-2996
	Description:
	Labels:
	CAS:
	InChi Code:	InChI=1S/C29H26N2O4S/c1-34-15-14-30(23-8-4-3-5-9-23)29(33)26-22(17-20-7-6-10-24(18-20)35-2)19-25(32)31-13-11-21-12-16-36-28(21)27(26)31/h3-13,16,18-19H,14-15,17H2,1-2H3

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)