COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK563603
Chemical Name: (E)-(4-bromophenyl){1-[3-(dimethylammonio)propyl]-2-(4-ethoxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: CCOc1ccc(cc1OC)C1/C(=C(/c2ccc(cc2)Br)\[O-])/C(=O)C(=O)N1CCC[NH+](C)C

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Molecular Weight: 517.42
Empirical Formula: C25H29BrN2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.587
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 83
Number of rings: 3

     

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