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AR-196/42202413 is available in 98 mg

Compound details
MDL #:		MFCD04128139
Formula:		C22 H23 N5 O5 S
Weight:		469.52
Chiral info:		Not available
Name:		methyl 4-({[(5-{[(4-methoxybenzoyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
SMILES:		COc1ccc(cc1)C(=O)NCc2nnc(n2(C))SCC(=O)Nc3ccc(cc3)C(=O)OC
InChI^TM:		InChI=1S/C22H23N5O5S/c1-27-18(12-23-20(29)14-6-10-17(31-2)11-7-14)25-26-22(27)33-13-19(28)24-16-8-4-15(5-9-16)21(30)32-3/h4-11H,12-13H2,1-3H3,(H,23,29)(H,24,28)
InChIKey^TM:		HJYHWAVBKLHBRG-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		11900 mg/Kg
Chronic LOAEL:		17.7 mg/Kg
AMES Mutagenicity:		0.8
Developmental Toxicity Potential:		0.01

Chemical properties calculations
LogP:	2.43	H-acceptors: 9
LogS:	-4.69	H-donors: 2
tPSA:	149.74 Å²	Rotatable bonds: 12

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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.