COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040184
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-2-(3-ethoxy-4-hydroxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[3-methyl-4-(propan-2-yloxy)phenyl]methanolate
Smiles: CCOc1cc(ccc1O)C1/C(=C(/c2ccc(c(c2)C)OC(C)C)\[O-])/C(=O)C(=O)N1CC[NH+](CC)CC

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Molecular Weight: 510.63
Empirical Formula: C29H38N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.15
Rotatable bonds: 12
H-donors: 2
H-acceptors: 6
PSA: 103
Number of rings: 3

     

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