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AG-690/12555027 is available in 4 mg

Compound details
Formula:		C17 H12 Br Cl N2 O3
Weight:		407.65
Chiral info:		Not available
Name:		7-bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate
SMILES:		CC(=O)OC2N=C(c1ccccc1Cl)c3cc(ccc3(NC2(=O)))Br
InChI^TM:		InChI=1S/C17H12BrClN2O3/c1-9(22)24-17-16(23)20-14-7-6-10(18)8-12(14)15(21-17)11-4-2-3-5-13(11)19/h2-8,17H,1H3,(H,20,23)
InChIKey^TM:		WFNOHKYMHSJTSM-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		534 mg/Kg
AMES Mutagenicity:		1

Chemical properties calculations
LogP:	3.17	H-acceptors: 5
LogS:	-4.88	H-donors: 1
tPSA:	67.76 Å²	Rotatable bonds: 3

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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.