COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045874
Chemical Name: (E)-(4-chlorophenyl){2-(3-fluorophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: Fc1cccc(c1)C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)Cl)/[O-]

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Molecular Weight: 458.92
Empirical Formula: C24H24ClFN2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.61
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 74
Number of rings: 4

     

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