COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148592
Chemical Name: (E)-(4-bromophenyl){2-(3-fluorophenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: Fc1cccc(c1)C1/C(=C(/c2ccc(cc2)Br)\[O-])/C(=O)C(=O)N1CC[NH+]1CCOCC1

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Molecular Weight: 489.34
Empirical Formula: C23H22BrFN2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.852
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 74
Number of rings: 4

     

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