COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL055861
Chemical Name: (4E)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-[3-methoxy-4-(3-methylbutoxy)phenyl]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Smiles: COc1cc(ccc1OCCC(C)C)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)C

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Molecular Weight: 598.72
Empirical Formula: C34H34N2O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.211
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 126
Number of rings: 6

     

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