COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL044908
Chemical Name: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}(5-methylfuran-2-yl)methanolate
Smiles: COc1c(OC)cc(cc1OC)C1/C(=C(/c2ccc(o2)C)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1

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Molecular Weight: 481.51
Empirical Formula: C25H27N3O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.676
Rotatable bonds: 7
H-donors: 1
H-acceptors: 7
PSA: 120
Number of rings: 4

     

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