COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK847218
Chemical Name: (1E,2E)-1-{1-[2-(diethylammonio)ethyl]-2-(4-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene}-3-phenylprop-2-en-1-olate
Smiles: CC[NH+](CCN1C(=O)C(=O)/C(=C(\C=C\c2ccccc2)/[O-])/C1c1ccc(cc1)F)CC

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Molecular Weight: 422.5
Empirical Formula: C25H27FN2O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.226
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 64
Number of rings: 3

     

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