COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL150609
Chemical Name: (E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: COc1cccc(c1)C1N(CCCn2c[nH+]cc2)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/[O-]

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Molecular Weight: 475.5
Empirical Formula: C26H25N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.826
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 107
Number of rings: 5

     

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