COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK287161
Chemical Name: (2E)-3-(3-bromo-5-ethoxy-4-propoxyphenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Smiles: CCCOc1c(Br)cc(cc1OCC)/C=C(/c1[nH]c2c(n1)cc(c(c2)C)C)\C#N

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Molecular Weight: 454.37
Empirical Formula: C23H24BrN3O2

Physical State: Dry powder
Available Amount: 141 mg

Lipinsky:
logP: 7.052
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 70
Number of rings: 3

     

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