COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL147409
Chemical Name: (E)-{2-(4-tert-butylphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(7-methoxy-1-benzofuran-2-yl)methanolate
Smiles: COc1cccc2c1oc(c2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CCC[NH+]1CCOCC1)/[O-]

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Molecular Weight: 532.64
Empirical Formula: C31H36N2O6

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 4.989
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 96
Number of rings: 5

     

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