COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK594995
Chemical Name: 3-[{2-[benzyl(methyl)amino]-5-nitrophenyl}(2-hydroxy-4-oxo-4,5-dihydrofuran-3-yl)methyl]-4-hydroxyfuran-2(5H)-one
Smiles: OC1=C(C(=O)CO1)C(c1cc(ccc1N(Cc1ccccc1)C)[N+](=O)[O-])C1=C(O)COC1=O

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Molecular Weight: 452.42
Empirical Formula: C23H20N2O8

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.428
Rotatable bonds: 6
H-donors: 2
H-acceptors: 8
PSA: 142
Number of rings: 4

     

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