COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045085
Chemical Name: (4E)-5-(2,3-dimethoxyphenyl)-4-[hydroxy(thiophen-2-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Smiles: COc1c(OC)cccc1C1N(c2nc3c(s2)cc(cc3)C)C(=O)C(=O)/C/1=C(\c1cccs1)/O

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Molecular Weight: 492.58
Empirical Formula: C25H20N2O5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.641
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 145
Number of rings: 5

     

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