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AK-968/11780045 is available in 47 mg

Compound details
MDL #:		MFCD01132118
Formula:		C26 H22 N2 O3 S
Weight:		442.54
Chiral info:		Not available
Name:		methyl 4-({3-(3-methylphenyl)-2-[(3-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl)benzoate
SMILES:		COC(=O)c1ccc(cc1)C=C4C(=O)N(c2cccc(C)c2)C(=Nc3cccc(C)c3)S4
InChI^TM:		InChI=1S/C26H22N2O3S/c1-17-6-4-8-21(14-17)27-26-28(22-9-5-7-18(2)15-22)24(29)23(32-26)16-19-10-12-20(13-11-19)25(30)31-3/h4-16H,1-3H3
InChIKey^TM:		VMWGBDZMGOXHLP-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		19500 mg/Kg
Chronic LOAEL:		10400 mg/Kg
AMES Mutagenicity:		0.95

Chemical properties calculations
LogP:	5.01	H-acceptors: 5
LogS:	-6.71
tPSA:	84.27 Å²	Rotatable bonds: 5

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Disclaimer: Predicted physical and biological properties, such as toxicity, mentioned on this website are indicative only and may not be relied upon in any way. Liability for damages of any kind resulting from reliance on these properties is expressly rejected.