COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL038789
Chemical Name: (E)-{1-[2-(dimethylammonio)ethyl]-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene}(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanolate
Smiles: C[NH+](CCN1C(=O)C(=O)/C(=C(\c2cnn(c2C)c2ccccc2)/[O-])/C1c1ccccc1F)C

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Molecular Weight: 448.5
Empirical Formula: C25H25FN4O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.712
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 82
Number of rings: 4

     

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