COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039954
Chemical Name: (E)-{1-[3-(dimethylammonio)propyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene}[4-(prop-2-en-1-yloxy)phenyl]methanolate
Smiles: C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)CCC[NH+](C)C)/[O-]

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Molecular Weight: 434.54
Empirical Formula: C26H30N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.638
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 74
Number of rings: 3

     

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