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AG-690/40696610 is available in 25 mg

Compound details
MDL #:		MFCD02048918
Formula:		C22 H18 Br N5 O S
Weight:		480.39
Chiral info:		Not available
Name:		N-(2-bromo-4-methylphenyl)-2-[(4-phenyl-5-pyridin-4-yl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILES:		Cc4ccc(NC(=O)CSc3nnc(c1ccncc1)n3(c2ccccc2))c(c4)Br
InChI^TM:		InChI=1S/C22H18BrN5OS/c1-15-7-8-19(18(23)13-15)25-20(29)14-30-22-27-26-21(16-9-11-24-12-10-16)28(22)17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,25,29)
InChIKey^TM:		ZSHBPACXXUYEDC-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		4530 mg/Kg
Chronic LOAEL:		25.6 mg/Kg
Developmental Toxicity Potential:		0.01

Chemical properties calculations
LogP:	3.86	H-acceptors: 6
LogS:	-6	H-donors: 1
tPSA:	98 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.