COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043920
Chemical Name: (E)-{2-(3,4-dichlorophenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-2-methylphenyl)methanolate
Smiles: COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)Cl)Cl)CCC[NH+](C)C)/[O-]

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Molecular Weight: 477.39
Empirical Formula: C24H26Cl2N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.898
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 74
Number of rings: 3

     

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