COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472707
Chemical Name: propan-2-yl2-{[(2E)-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-cyanoprop-2-enoyl]amino}thiophene-3-carboxylate
Smiles: CCOc1cc(/C=C(/C(=O)Nc2sccc2C(=O)OC(C)C)\C#N)cc(c1O)Br

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Molecular Weight: 479.35
Empirical Formula: C20H19BrN2O5S

Physical State: Dry powder
Available Amount: 64 mg

Lipinsky:
logP: 6.603
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 136
Number of rings: 2

     

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