COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK595194
Chemical Name: (1Z,2E)-1-{2-(4-ethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}-3-phenylprop-2-en-1-olate
Smiles: CCOc1ccc(cc1)C1/C(=C(\C=C\c2ccccc2)/[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1

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Molecular Weight: 476.57
Empirical Formula: C28H32N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.289
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 83
Number of rings: 4

     

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