COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL057483
Chemical Name: (4E)-4-[(4-ethoxyphenyl)(hydroxy)methylidene]-1-(6-ethyl-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: CCOc1ccc(cc1)/C(=C\1/C(c2ccccc2OC)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)CC)/O

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Molecular Weight: 514.6
Empirical Formula: C29H26N2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.013
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 117
Number of rings: 5

     

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