COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK567522
Chemical Name: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-nitrophenyl)-1-(2-phenylethyl)pyrrolidine-2,3-dione
Smiles: O=C1C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C(N1CCc1ccccc1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 486.48
Empirical Formula: C27H22N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.764
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 121
Number of rings: 5

     

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