COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL038523
Chemical Name: (1E,2E)-1-{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}-3-phenylprop-2-en-1-olate
Smiles: CC[NH+](CCN1C(c2ccccc2)/C(=C(/C=C/c2ccccc2)\[O-])/C(=O)C1=O)CC

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Molecular Weight: 404.51
Empirical Formula: C25H28N2O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.174
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 64
Number of rings: 3

     

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