COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK566912
Chemical Name: (E)-{2-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Smiles: COc1cc(cc(c1O)Br)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1

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Molecular Weight: 570.4
Empirical Formula: C26H24BrN3O7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.988
Rotatable bonds: 8
H-donors: 2
H-acceptors: 7
PSA: 127
Number of rings: 5

     

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