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AN-988/14610081 is available in 43 mg

Compound details
MDL #:		MFCD02327254
Formula:		C20 H18 N2 O5 S
Weight:		398.44
Chiral info:		Not available
Name:		4-{[5-(2,4-dimethoxybenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid
SMILES:		COc3ccc(C=C2C(=O)N(C)C(=Nc1ccc(cc1)C(O)=O)S2)c(c3)OC
InChI^TM:		InChI=1S/C20H18N2O5S/c1-22-18(23)17(10-13-6-9-15(26-2)11-16(13)27-3)28-20(22)21-14-7-4-12(5-8-14)19(24)25/h4-11H,1-3H3,(H,24,25)
InChIKey^TM:		JGSHIHQSGGSRFL-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		5040 mg/Kg
Chronic LOAEL:		93.4 mg/Kg
AMES Mutagenicity:		0.9

Chemical properties calculations
LogP:	2.71	H-acceptors: 5
LogS:	-4.42	H-donors: 1
tPSA:	113.73 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.