COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053709
Chemical Name: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
Smiles: CCOc1ccc2c(c1)sc(n2)N1C(c2cc(OC)c(c(c2)OC)OC)/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C1=O

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Molecular Weight: 604.64
Empirical Formula: C31H28N2O9S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.27
Rotatable bonds: 6
H-donors: 1
H-acceptors: 9
PSA: 154
Number of rings: 6

     

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