COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK566039
Chemical Name: (E)-(4-chlorophenyl)[2-(3-fluorophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: Fc1cccc(c1)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)Cl)/[O-]

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Molecular Weight: 422.84
Empirical Formula: C23H16ClFN2O3

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 3.973
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 74
Number of rings: 4

     

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