COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL151056
Chemical Name: (E)-[4-(benzyloxy)-3-methylphenyl]{2-(4-tert-butylphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: O=C1C(=O)/C(=C(\c2ccc(c(c2)C)OCc2ccccc2)/[O-])/C(N1CCC[NH+]1CCOCC1)c1ccc(cc1)C(C)(C)C

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Molecular Weight: 582.74
Empirical Formula: C36H42N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.783
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 83
Number of rings: 5

     

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