COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042866
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate
Smiles: CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OC)O)CC[NH+](CC)CC)/[O-]

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Molecular Weight: 482.58
Empirical Formula: C27H34N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.342
Rotatable bonds: 10
H-donors: 2
H-acceptors: 6
PSA: 103
Number of rings: 3

     

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