COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL479660
Chemical Name: (2Z)-2-cyano-3-(4-ethoxy-3-methoxyphenyl)-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]prop-2-enamide
Smiles: CCOc1ccc(cc1OC)/C=C(\C(=O)Nc1nc2c(s1)cc(cc2)S(=O)(=O)C)/C#N

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Molecular Weight: 457.53
Empirical Formula: C21H19N3O5S2

Available Amount: 0 mg

Lipinsky:
logP: 2.867
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 155
Number of rings: 3

     

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