COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041288
Chemical Name: (4E)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Smiles: COc1cc(cc(c1O)Br)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)C

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Molecular Weight: 607.48
Empirical Formula: C29H23BrN2O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.61
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 137
Number of rings: 6

     

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