COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041708
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-2-(4-hydroxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[4-(prop-2-en-1-yloxy)phenyl]methanolate
Smiles: CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)OCC=C)/[O-])/C1c1ccc(cc1)O)CC

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Molecular Weight: 450.53
Empirical Formula: C26H30N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.38
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 94
Number of rings: 3

     

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