COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL057575
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-2-(3-ethoxy-4-hydroxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}{4-[(3-methylbenzyl)oxy]phenyl}methanolate
Smiles: CCOc1cc(ccc1O)C1/C(=C(/c2ccc(cc2)OCc2cccc(c2)C)\[O-])/C(=O)C(=O)N1CC[NH+](CC)CC

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Molecular Weight: 558.67
Empirical Formula: C33H38N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.927
Rotatable bonds: 11
H-donors: 2
H-acceptors: 6
PSA: 103
Number of rings: 4

     

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