COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL048969
Chemical Name: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: CCOc1ccc2c(c1)sc(n2)N1C(c2ccc(c(c2)OC)O)/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C1=O

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Molecular Weight: 560.58
Empirical Formula: C29H24N2O8S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.8
Rotatable bonds: 7
H-donors: 2
H-acceptors: 8
PSA: 155
Number of rings: 6

     

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