COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL325553
Chemical Name: [3-(4-methylpyridinium-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl][(4-nitrophenyl)sulfonyl]azanide
Smiles: Cc1cc[n+](cc1)C1=C([N-]S(=O)(=O)c2ccc(cc2)[N+](=O)[O-])C(=O)c2c(C1=O)cccc2

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Molecular Weight: 449.44
Empirical Formula: C22H15N3O6S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0
Rotatable bonds: 0
H-donors: 0
H-acceptors: 6
PSA: 126
Number of rings: 4

     

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