COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046449
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-2-(3-ethoxy-4-hydroxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[3-methyl-4-(2-methylpropoxy)phenyl]methanolate
Smiles: CCOc1cc(ccc1O)C1/C(=C(/c2ccc(c(c2)C)OCC(C)C)\[O-])/C(=O)C(=O)N1CC[NH+](CC)CC

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Molecular Weight: 524.66
Empirical Formula: C30H40N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.681
Rotatable bonds: 13
H-donors: 2
H-acceptors: 6
PSA: 103
Number of rings: 3

     

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