COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL038990
Chemical Name: (E)-[2-(4-ethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)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)Cc1ccc[nH+]c1)/[O-]

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Molecular Weight: 470.52
Empirical Formula: C28H26N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.594
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 93
Number of rings: 4

     

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