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AG-670/36150031 is available in 12 mg

Compound details
MDL #:		MFCD00055974
Formula:		C9 H7 N7 O2 S
Weight:		277.27
Chiral info:		Not available
Name:		6-({4-nitro-1-methyl-1H-imidazol-5-yl}sulfanyl)-7H-purine
SMILES:		Cn1cnc(c1Sc3ncnc2nc[nH]c23)[N+](=O)[O-]
InChI^TM:		InChI=1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13)
InChIKey^TM:		LMEKQMALGUDUQG-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		522 mg/Kg
Chronic LOAEL:		194 mg/Kg
AMES Mutagenicity:		1

Chemical properties calculations
LogP:	0.1	H-acceptors: 6
LogS:	-3.01	H-donors: 1
tPSA:	140.72 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.