COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK201847
Chemical Name: (2Z)-3-(3,4-diethoxy-5-iodophenyl)-2-(5-methoxy-1H-benzimidazol-2-yl)prop-2-enenitrile
Smiles: CCOc1cc(cc(c1OCC)I)/C=C(\c1[nH]c2c(n1)cc(cc2)OC)/C#N

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Molecular Weight: 489.31
Empirical Formula: C21H20IN3O3

Physical State: Dry powder
Available Amount: 61 mg

Lipinsky:
logP: 5.689
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 80
Number of rings: 3

     

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