COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039801
Chemical Name: (E)-{1-[2-(dimethylammonio)ethyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-2-methylphenyl)methanolate
Smiles: COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])CC[NH+](C)C)/[O-]

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Molecular Weight: 439.47
Empirical Formula: C23H25N3O6

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 3.439
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 119
Number of rings: 3

     

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