COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046811
Chemical Name: (E)-(3,4-dimethoxyphenyl){2-(2,3-dimethoxyphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: COc1c(OC)cccc1C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)OC)OC)/[O-]

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Molecular Weight: 484.55
Empirical Formula: C26H32N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.992
Rotatable bonds: 10
H-donors: 1
H-acceptors: 7
PSA: 101
Number of rings: 3

     

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