COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052180
Chemical Name: 2-carboxy-4-({(E)-2-cyano-2-[4-(3-methoxyphenyl)-1,3-thiazol-3-ium-2-yl]ethenyl}amino)phenolate
Smiles: COc1cccc(c1)c1csc([nH+]1)/C(=C/Nc1ccc(c(c1)C(=O)O)[O-])/C#N

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Molecular Weight: 393.42
Empirical Formula: C20H15N3O4S

Physical State: Dry powder
Available Amount: 191 mg

Lipinsky:
logP: 4.302
Rotatable bonds: 5
H-donors: 3
H-acceptors: 4
PSA: 147
Number of rings: 3

     

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