COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL150811
Chemical Name: (E)-{2-(3-bromophenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methylphenyl)methanolate
Smiles: C[NH+](CCCN1C(c2cccc(c2)Br)/C(=C(/c2ccc(cc2)C)\[O-])/C(=O)C1=O)C

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Molecular Weight: 457.37
Empirical Formula: C23H25BrN2O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.659
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 64
Number of rings: 3

     

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