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AG-690/40639196 is available in 31 mg

Compound details
MDL #:		MFCD02146600
Formula:		C18 H15 Cl F N3 O2 S
Weight:		391.85
Chiral info:		Not available
Name:		2-[(4-chlorophenyl)imino]-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILES:		CN3C(=O)CC(C(=O)Nc1ccccc1(F))SC3(=Nc2ccc(cc2)Cl)
InChI^TM:		InChI=1S/C18H15ClFN3O2S/c1-23-16(24)10-15(17(25)22-14-5-3-2-4-13(14)20)26-18(23)21-12-8-6-11(19)7-9-12/h2-9,15H,10H2,1H3,(H,22,25)
InChIKey^TM:		DNJIFMSWEIFATI-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		1700 mg/Kg
Chronic LOAEL:		61.6 mg/Kg
AMES Mutagenicity:		0.17

Chemical properties calculations
LogP:	1.6	H-acceptors: 5
LogS:	-3.42	H-donors: 1
tPSA:	87.07 Å²	Rotatable bonds: 4

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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.