COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL038627
Chemical Name: (E)-{2-(3,4-dimethoxyphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-2-methylphenyl)methanolate
Smiles: COc1ccc(c(c1)C)/C(=C\1/C(c2ccc(c(c2)OC)OC)N(C(=O)C1=O)CCC[NH+](C)C)/[O-]

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Molecular Weight: 468.55
Empirical Formula: C26H32N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.57
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 3

     

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