COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK380358
Chemical Name: 2-{(1E)-2-cyano-3-[(4-methoxy-2-nitrophenyl)amino]-3-oxoprop-1-en-1-yl}phenylnaphthalene-2-sulfonate
Smiles: COc1ccc(c(c1)[N+](=O)[O-])NC(=O)/C(=C/c1ccccc1OS(=O)(=O)c1ccc2c(c1)cccc2)/C#N

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Molecular Weight: 529.53
Empirical Formula: C27H19N3O7S

Physical State: Dry powder
Available Amount: 189 mg

Lipinsky:
logP: 5.961
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 159
Number of rings: 4

     

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