COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL150757
Chemical Name: (E)-{2-(4-fluorophenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[3-methyl-4-(2-methylpropoxy)phenyl]methanolate
Smiles: CC(COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)F)CC[NH+]1CCOCC1)/[O-])C

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Molecular Weight: 496.58
Empirical Formula: C28H33FN2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.777
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 83
Number of rings: 4

     

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