COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052520
Chemical Name: (4E)-1-benzyl-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Smiles: O/C(=C\1/C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])Cc1ccccc1)/c1ccc2c(c1)OCCO2

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Molecular Weight: 472.45
Empirical Formula: C26H20N2O7

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 4.375
Rotatable bonds: 3
H-donors: 1
H-acceptors: 7
PSA: 121
Number of rings: 5

     

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