COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056178
Chemical Name: (E)-{1-[3-(dimethylammonio)propyl]-2-(4-hydroxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate
Smiles: CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)O)CCC[NH+](C)C)/[O-]

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Molecular Weight: 438.52
Empirical Formula: C25H30N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.699
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 94
Number of rings: 3

     

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