COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046303
Chemical Name: (E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene}(4-methylphenyl)methanolate
Smiles: CCCOc1cccc(c1)C1/C(=C(/c2ccc(cc2)C)\[O-])/C(=O)C(=O)N1CCC[NH+](C)C

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Molecular Weight: 436.55
Empirical Formula: C26H32N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.866
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 74
Number of rings: 3

     

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