COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473456
Chemical Name: propan-2-yl2-{[(2E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoyl]amino}thiophene-3-carboxylate
Smiles: CCOc1cc(ccc1O)/C=C(/C(=O)Nc1sccc1C(=O)OC(C)C)\C#N

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Molecular Weight: 400.46
Empirical Formula: C20H20N2O5S

Physical State: Dry powder
Available Amount: 79 mg

Lipinsky:
logP: 5.433
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 136
Number of rings: 2

     

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