COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL036978
Chemical Name: (E)-{2-(4-chlorophenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate
Smiles: CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Cl)CCC[NH+](C)C)/[O-]

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Molecular Weight: 456.97
Empirical Formula: C25H29ClN2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.031
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 74
Number of rings: 3

     

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