COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK379136
Chemical Name: 4-{(1Z)-3-[(4-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-methoxyphenyl4-nitrobenzenesulfonate
Smiles: N#C/C(=C/c1ccc(c(c1)OC)OS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])/C(=O)Nc1ccc(cc1)Br

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Molecular Weight: 558.37
Empirical Formula: C23H16BrN3O7S

Physical State: Dry powder
Available Amount: 82 mg

Lipinsky:
logP: 5.217
Rotatable bonds: 5
H-donors: 1
H-acceptors: 7
PSA: 159
Number of rings: 3

     

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