COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL000021
Chemical Name: 2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-diiodophenoxy}-N,N-diethyl-N-methylethanaminium
Smiles: CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCC[N+](CC)(CC)C)cccc2

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Saltdata: I-
Molecular Weight: 660.35
Empirical Formula: C26H32I2NO3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.126
Rotatable bonds: 9
H-donors: 0
H-acceptors: 3
PSA: 39
Number of rings: 3

     

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