COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL049639
Chemical Name: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidine-2,3-dione
Smiles: C=CCOc1cccc(c1)C1N(c2nc3c(s2)cc(cc3)OCC)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

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Molecular Weight: 570.62
Empirical Formula: C31H26N2O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.552
Rotatable bonds: 8
H-donors: 1
H-acceptors: 7
PSA: 135
Number of rings: 6

     

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