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:	45
	Name:	R065-2822
	Description:
	Labels:
	CAS:
	InChi Code:	InChI=1S/C32H30N2O4S/c1-37-17-16-33(20-22-7-8-22)31(35)28-19-27(32(36)34-15-13-25-14-18-39-30(25)29(28)34)24-9-11-26(12-10-24)38-21-23-5-3-2-4-6-23/h2-6,9-15,18-19,22H,7-8,16-17,20-21H2,1H3

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)