COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL044259
Chemical Name: (E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(4-propoxyphenyl)pyrrolidin-3-ylidene}[4-(prop-2-en-1-yloxy)phenyl]methanolate
Smiles: CCCOc1ccc(cc1)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OCC=C)/[O-]

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Molecular Weight: 464.56
Empirical Formula: C27H32N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.032
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 83
Number of rings: 3

     

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