COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL055931
Chemical Name: (E)-{1-[2-(dimethylammonio)ethyl]-2-(4-ethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[4-(2-methylpropoxy)phenyl]methanolate
Smiles: CCOc1ccc(cc1)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OCC(C)C)/[O-]

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Molecular Weight: 466.58
Empirical Formula: C27H34N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.105
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 83
Number of rings: 3

     

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