COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054964
Chemical Name: (4E)-5-[4-(benzyloxy)-3-ethoxyphenyl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Smiles: CCOc1cc(ccc1OCc1ccccc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OCC

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Molecular Weight: 664.74
Empirical Formula: C37H32N2O8S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.755
Rotatable bonds: 9
H-donors: 1
H-acceptors: 8
PSA: 144
Number of rings: 7

     

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