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AR-196/42792372 is available in 133 mg

Compound details
MDL #:		MFCD05111837
Formula:		C23 H27 N5 O2 S
Weight:		437.57
Chiral info:		Not available
Name:		N-[2-(4-ethyl-5-{[2-oxo-2-(3-toluidino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]-4-methylbenzamide
SMILES:		CCn2c(CCNC(=O)c1ccc(C)cc1)nnc2SCC(=O)Nc3cccc(C)c3
InChI^TM:		InChI=1S/C23H27N5O2S/c1-4-28-20(12-13-24-22(30)18-10-8-16(2)9-11-18)26-27-23(28)31-15-21(29)25-19-7-5-6-17(3)14-19/h5-11,14H,4,12-13,15H2,1-3H3,(H,24,30)(H,25,29)
InChIKey^TM:		JYRKXPWFMBKJDE-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		3800 mg/Kg
Chronic LOAEL:		15.7 mg/Kg
AMES Mutagenicity:		0.8

Chemical properties calculations
LogP:	4.19	H-acceptors: 7
LogS:	-5.97	H-donors: 2
tPSA:	114.21 Å²	Rotatable bonds: 11

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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.