COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045935
Chemical Name: (E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-[4-(propan-2-yloxy)phenyl]pyrrolidin-3-ylidene}(4-ethoxyphenyl)methanolate
Smiles: CCOc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)OC(C)C)N(C(=O)C1=O)CCC[NH+](C)C)/[O-]

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Molecular Weight: 466.58
Empirical Formula: C27H34N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.698
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 83
Number of rings: 3

     

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