COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK563492
Chemical Name: (E)-(4-chlorophenyl){1-[2-(dimethylammonio)ethyl]-2-(4-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: Fc1ccc(cc1)C1/C(=C(/c2ccc(cc2)Cl)\[O-])/C(=O)C(=O)N1CC[NH+](C)C

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Molecular Weight: 402.85
Empirical Formula: C21H20ClFN2O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.88
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 64
Number of rings: 3

     

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