COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562789
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-[4-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}(4-ethoxyphenyl)methanolate
Smiles: C=CCOc1ccc(cc1)C1/C(=C(/c2ccc(cc2)OCC)\[O-])/C(=O)C(=O)N1CC[NH+](CC)CC

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Molecular Weight: 478.59
Empirical Formula: C28H34N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.563
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 83
Number of rings: 3

     

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