COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562211
Chemical Name: (E)-{2-(3,4-dimethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(7-methoxy-1-benzofuran-2-yl)methanolate
Smiles: COc1ccc(cc1OC)C1/C(=C(/c2oc3c(c2)cccc3OC)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1

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Molecular Weight: 536.58
Empirical Formula: C29H32N2O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.038
Rotatable bonds: 9
H-donors: 1
H-acceptors: 8
PSA: 114
Number of rings: 5

     

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