COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053220
Chemical Name: (E)-{2-[3-(benzyloxy)phenyl]-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Smiles: [O-]/C(=C\1/C(=O)C(=O)N(C1c1cccc(c1)OCc1ccccc1)Cc1ccc[nH+]c1)/c1ccc2c(c1)OCCO2

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Molecular Weight: 534.57
Empirical Formula: C32H26N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.723
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 102
Number of rings: 6

     

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