COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL062948
Chemical Name: methyl2-{[(4-bromo-2,6-dimethylphenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=O)COc2c(C)cc(cc2C)Br)sc2c1CCCC2

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Molecular Weight: 452.37
Empirical Formula: C20H22BrNO4S

Physical State: Dry powder
Available Amount: 109 mg

Lipinsky:
logP: 6.917
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 92
Number of rings: 3

     

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