COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK561666
Chemical Name: (E)-[2-(4-ethoxyphenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene][4-(prop-2-en-1-yloxy)phenyl]methanolate
Smiles: C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)OCC)c1cccc[nH+]1)/[O-]

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Molecular Weight: 456.5
Empirical Formula: C27H24N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.514
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 93
Number of rings: 4

     

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