COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045769
Chemical Name: (Z)-{1-[2-(diethylammonio)ethyl]-2-(2-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(phenyl)methanolate
Smiles: CC[NH+](CCN1C(=O)C(=O)/C(=C(/c2ccccc2)\[O-])/C1c1ccccc1[N+](=O)[O-])CC

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Molecular Weight: 423.47
Empirical Formula: C23H25N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.096
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 110
Number of rings: 3

     

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