COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL506562
Chemical Name: dimethyl{3-iodo-5-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}propanedioate
Smiles: COC(=O)C(=Cc1cc(I)c(c(c1)OC)OCc1ccc(cc1)[N+](=O)[O-])C(=O)OC

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Molecular Weight: 527.27
Empirical Formula: C20H18INO8

Physical State: Dry powder
Available Amount: 448 mg

Lipinsky:
logP: 4.171
Rotatable bonds: 8
H-donors: 0
H-acceptors: 8
PSA: 116
Number of rings: 2

     

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