COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042044
Chemical Name: (E)-{2-(3,4-diethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Smiles: CCOc1cc(ccc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1

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Molecular Weight: 533.58
Empirical Formula: C29H31N3O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.711
Rotatable bonds: 10
H-donors: 1
H-acceptors: 7
PSA: 116
Number of rings: 5

     

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