COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562555
Chemical Name: (E)-{2-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: COc1cc(cc(c1O)Br)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1

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Molecular Weight: 587.47
Empirical Formula: C28H31BrN2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.554
Rotatable bonds: 8
H-donors: 2
H-acceptors: 7
PSA: 112
Number of rings: 5

     

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