COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039765
Chemical Name: (E)-{1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-[4-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate
Smiles: CCCOc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)OCC=C)N(C(=O)C1=O)CC[NH+]1CCOCC1)/[O-]

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Molecular Weight: 506.6
Empirical Formula: C29H34N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.638
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 4

     

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