COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL419053
Chemical Name: 4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-bromo-6-methoxyphenylthiophene-2-carboxylate
Smiles: COc1cc(cc(c1OC(=O)c1cccs1)Br)/C=C(/c1nc2c([nH]1)cccc2)\C#N

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Molecular Weight: 480.34
Empirical Formula: C22H14BrN3O3S

Physical State: Dry powder
Available Amount: 149 mg

Lipinsky:
logP: 5.89
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 116
Number of rings: 4

     

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