COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK563602
Chemical Name: (E)-{2-[4-(methoxycarbonyl)phenyl]-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate
Smiles: COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(=O)OC)Cc1ccc[nH+]c1)/[O-]

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Molecular Weight: 458.47
Empirical Formula: C26H22N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.35
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 110
Number of rings: 4

     

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