COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL336697
Chemical Name: [3-(4-tert-butylpyridinium-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl](phenylsulfonyl)azanide
Smiles: O=C1C(=C([N-]S(=O)(=O)c2ccccc2)C(=O)c2c1cccc2)[n+]1ccc(cc1)C(C)(C)C

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Molecular Weight: 446.53
Empirical Formula: C25H22N2O4S

Physical State: Dry powder
Available Amount: 230 mg

Lipinsky:
logP: 0
Rotatable bonds: 0
H-donors: 0
H-acceptors: 4
PSA: 80
Number of rings: 4

     

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