COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK569412
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-2-(3-ethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Smiles: CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CC[NH+](CC)CC

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Molecular Weight: 480.56
Empirical Formula: C27H32N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.568
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 4

     

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