COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK569822
Chemical Name: 3-nitro-2',6'-dioxo-1',6',6a,7,8,9,10,11-octahydro-2'H,5H-spiro[azepino[1,2-a]quinolinium-6,5'-pyrimidin]-4'-olate
Smiles: O=C1NC(=O)C2(C(=N1)[O-])Cc1cc(ccc1[NH+]1C2CCCCC1)[N+](=O)[O-]

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Molecular Weight: 358.35
Empirical Formula: C17H18N4O5

Physical State: Dry powder
Available Amount: 66 mg

Lipinsky:
logP: 2.574
Rotatable bonds: 0
H-donors: 2
H-acceptors: 5
PSA: 131
Number of rings: 4

     

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