COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK565422
Chemical Name: (E)-{1-[2-(dimethylammonio)ethyl]-2-(3-methoxy-4-propoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-fluorophenyl)methanolate
Smiles: CCCOc1ccc(cc1OC)C1/C(=C(/c2ccc(cc2)F)\[O-])/C(=O)C(=O)N1CC[NH+](C)C

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Molecular Weight: 456.51
Empirical Formula: C25H29FN2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.112
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 83
Number of rings: 3

     

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