COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK949540
Chemical Name: methyl2-{[(2E)-3-(4-butoxy-3-methoxyphenyl)-2-cyanoprop-2-enoyl]amino}-4,5-dimethylthiophene-3-carboxylate
Smiles: CCCCOc1ccc(cc1OC)/C=C(/C(=O)Nc1sc(c(c1C(=O)OC)C)C)\C#N

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Molecular Weight: 442.54
Empirical Formula: C23H26N2O5S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 7.136
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 125
Number of rings: 2

     

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