COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK492671
Chemical Name: methyl2-{[(2E)-3-(5-bromo-2-ethoxyphenyl)-2-cyanoprop-2-enoyl]amino}-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
Smiles: CCOc1ccc(cc1/C=C(/C(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)N(C)C)\C#N)Br

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Molecular Weight: 520.4
Empirical Formula: C22H22BrN3O5S

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 6.366
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 136
Number of rings: 2

     

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