COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045138
Chemical Name: (E)-(3,4-dimethoxyphenyl){1-[3-(dimethylammonio)propyl]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: COc1ccc(cc1OC)/C(=C/1\C(=O)C(=O)N(C1c1ccc(o1)C)CCC[NH+](C)C)/[O-]

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Molecular Weight: 428.49
Empirical Formula: C23H28N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.876
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 96
Number of rings: 3

     

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