COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK385536
Chemical Name: 4-[(1E)-3-amino-2-cyano-3-oxoprop-1-en-1-yl]phenyl2-nitrobenzenesulfonate
Smiles: N#C/C(=C\c1ccc(cc1)OS(=O)(=O)c1ccccc1[N+](=O)[O-])/C(=O)N

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Molecular Weight: 373.35
Empirical Formula: C16H11N3O6S

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 1.861
Rotatable bonds: 3
H-donors: 2
H-acceptors: 6
PSA: 164
Number of rings: 2

     

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