COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL149792
Chemical Name: (E)-(3,4-dimethoxyphenyl)[2-(furan-2-yl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: COc1ccc(cc1OC)/C(=C/1\C(=O)C(=O)N(C1c1ccco1)Cc1ccc[nH+]c1)/[O-]

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Molecular Weight: 420.42
Empirical Formula: C23H20N2O6

Physical State: Dry powder
Available Amount: 256 mg

Lipinsky:
logP: 2.385
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 106
Number of rings: 4

     

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