COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL150298
Chemical Name: (E)-{1-[3-(dimethylammonio)propyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-fluorophenyl)methanolate
Smiles: Fc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])CCC[NH+](C)C)/[O-]

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Molecular Weight: 427.43
Empirical Formula: C22H22FN3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.167
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 110
Number of rings: 3

     

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