COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK675987
Chemical Name: nitro[1-(2-{[4-({[1-(nitroazanidyl)-4H-1,2,4-triazol-1-ium-4-yl]acetyl}amino)phenyl]amino}-2-oxoethyl)-1H-1,2,4-triazol-4-ium-4-yl]azanide
Smiles: O=C(Cn1cn[n+](c1)[N-][N+](=O)[O-])Nc1ccc(cc1)NC(=O)Cn1nc[n+](c1)[N-][N+](=O)[O-]

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Molecular Weight: 446.34
Empirical Formula: C14H14N12O6

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 0
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 228
Number of rings: 3

     

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