COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052538
Chemical Name: (4E)-5-(3,4-diethoxyphenyl)-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(ccc1OCC)C1N(c2nc3c(s2)cc(cc3)OCC)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

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Molecular Weight: 602.66
Empirical Formula: C32H30N2O8S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.631
Rotatable bonds: 9
H-donors: 1
H-acceptors: 8
PSA: 144
Number of rings: 6

     

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