COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562262
Chemical Name: (E)-{2-(2,3-dimethoxyphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate
Smiles: COc1c(OC)cccc1C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1cccc(c1)OC)/[O-]

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Molecular Weight: 454.52
Empirical Formula: C25H30N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.14
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 3

     

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