COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL055040
Chemical Name: (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(4-ethoxy-3-methoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Smiles: CCOc1ccc(cc1OC)C1N(c2nc3c(s2)cc(cc3)OCC)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/O

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Molecular Weight: 586.67
Empirical Formula: C32H30N2O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.788
Rotatable bonds: 8
H-donors: 1
H-acceptors: 7
PSA: 135
Number of rings: 6

     

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