COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046367
Chemical Name: (E)-{1-(3-carboxypropyl)-2-[4-(dimethylammonio)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(phenyl)methanolate
Smiles: OC(=O)CCCN1C(=O)C(=O)/C(=C(\c2ccccc2)/[O-])/C1c1ccc(cc1)[NH+](C)C

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Molecular Weight: 408.45
Empirical Formula: C23H24N2O5

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 3.189
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 102
Number of rings: 3

     

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