COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL150156
Chemical Name: (E)-{2-(3,4-dimethoxyphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(pyridin-4-yl)methanolate
Smiles: COc1ccc(cc1OC)C1/C(=C(/c2ccncc2)\[O-])/C(=O)C(=O)N1CCC[NH+](C)C

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Molecular Weight: 425.48
Empirical Formula: C23H27N3O5

Physical State: Dry powder
Available Amount: 255 mg

Lipinsky:
logP: 1.673
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 96
Number of rings: 3

     

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