COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL506569
Chemical Name: dimethyl{3-ethoxy-4-[(4-nitrobenzyl)oxy]benzylidene}propanedioate
Smiles: CCOc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])C=C(C(=O)OC)C(=O)OC

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Molecular Weight: 415.4
Empirical Formula: C21H21NO8

Physical State: Dry powder
Available Amount: 333 mg

Lipinsky:
logP: 3.776
Rotatable bonds: 9
H-donors: 0
H-acceptors: 8
PSA: 116
Number of rings: 2

     

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