COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039352
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}(7-methoxy-1-benzofuran-2-yl)methanolate
Smiles: COc1cccc2c1oc(c2)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)CC[NH+](CC)CC)/[O-]

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Molecular Weight: 449.51
Empirical Formula: C25H27N3O5

Physical State: Dry powder
Available Amount: 315 mg

Lipinsky:
logP: 3.141
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 100
Number of rings: 4

     

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