COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL049785
Chemical Name: (E)-{2-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-[2-(dimethylammonio)ethyl]-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)N1CC[NH+](C)C

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Molecular Weight: 531.4
Empirical Formula: C25H27BrN2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.824
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 103
Number of rings: 4

     

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