COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040382
Chemical Name: (E)-(3,4-dimethoxyphenyl){1-[3-(dimethylammonio)propyl]-2-(3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: COc1cccc(c1)C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)OC)OC)/[O-]

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Molecular Weight: 454.52
Empirical Formula: C25H30N2O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.17
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 3

     

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