COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042793
Chemical Name: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-hydroxyphenyl)-1-(2-methoxyethyl)pyrrolidine-2,3-dione
Smiles: COCCN1C(c2cccc(c2)O)/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C1=O

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Molecular Weight: 411.41
Empirical Formula: C22H21NO7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.178
Rotatable bonds: 7
H-donors: 2
H-acceptors: 7
PSA: 105
Number of rings: 4

     

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