COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL147996
Chemical Name: (E)-{1-[3-(dimethylammonio)propyl]-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)CCC[NH+](C)C)/[O-]

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Molecular Weight: 435.48
Empirical Formula: C24H25N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.203
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 100
Number of rings: 4

     

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