COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054597
Chemical Name: (E)-{1-[3-(diethylammonio)propyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Smiles: COc1cc(cc(c1OC)OC)C1N(CCC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/[O-]

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Molecular Weight: 540.61
Empirical Formula: C29H36N2O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.685
Rotatable bonds: 9
H-donors: 1
H-acceptors: 8
PSA: 111
Number of rings: 4

     

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