COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL147442
Chemical Name: (E)-{1-[3-(diethylammonio)propyl]-4,5-dioxo-2-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}(4-fluorophenyl)methanolate
Smiles: C=CCOc1cccc(c1)C1/C(=C(/c2ccc(cc2)F)\[O-])/C(=O)C(=O)N1CCC[NH+](CC)CC

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Molecular Weight: 466.55
Empirical Formula: C27H31FN2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.22
Rotatable bonds: 10
H-donors: 1
H-acceptors: 4
PSA: 74
Number of rings: 3

     

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