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AG-690/40752586 is available in 23 mg

Compound details
Formula:		C18 H23 Cl N4 O S
Weight:		378.93
Chiral info:		Not available
Name:		N-(2-chlorophenyl)-2-[(5-cyclohexyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILES:		CCn1c(nnc1SCC(=O)Nc2ccccc2Cl)C3CCCCC3
InChI^TM:		InChI=1S/C18H23ClN4OS/c1-2-23-17(13-8-4-3-5-9-13)21-22-18(23)25-12-16(24)20-15-11-7-6-10-14(15)19/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,20,24)
InChIKey^TM:		VFRPOBGEMIPVGW-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		117 mg/Kg
Chronic LOAEL:		12.5 mg/Kg

Chemical properties calculations
LogP:	4.58	H-acceptors: 5
LogS:	-5.88	H-donors: 1
tPSA:	85.11 Å²	Rotatable bonds: 7

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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.