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AG-690/40696922 is available in 27 mg

Compound details
MDL #:		MFCD02738890
Formula:		C18 H16 N4 O4 S
Weight:		384.41
Chiral info:		Not available
Name:		N-{5-nitro-2-methylphenyl}-2-{[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
SMILES:		Cc3ccc(cc3(NC(=O)CSc2nnc(Cc1ccccc1)o2))[N+](=O)[O-]
InChI^TM:		InChI=1S/C18H16N4O4S/c1-12-7-8-14(22(24)25)10-15(12)19-16(23)11-27-18-21-20-17(26-18)9-13-5-3-2-4-6-13/h2-8,10H,9,11H2,1H3,(H,19,23)
InChIKey^TM:		OKELQRSNDVBUAF-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		7060 mg/Kg
Chronic LOAEL:		14.5 mg/Kg
AMES Mutagenicity:		0.01

Chemical properties calculations
LogP:	3.03	H-acceptors: 4
LogS:	-4.98	H-donors: 1
tPSA:	136.46 Å²	Rotatable bonds: 8

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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.