COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472677
Chemical Name: methyl2-{[(2E)-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-cyanoprop-2-enoyl]amino}-5-(propan-2-yl)thiophene-3-carboxylate
Smiles: CCOc1cc(/C=C(/C(=O)Nc2sc(cc2C(=O)OC)C(C)C)\C#N)cc(c1O)Br

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Molecular Weight: 493.38
Empirical Formula: C21H21BrN2O5S

Physical State: Dry powder
Available Amount: 123 mg

Lipinsky:
logP: 7.063
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 136
Number of rings: 2

     

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