COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041077
Chemical Name: (4E)-5-[4-(benzyloxy)phenyl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Smiles: Cc1cc(C)c2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1ccc(cc1)OCc1ccccc1

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Molecular Weight: 604.68
Empirical Formula: C35H28N2O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.875
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 126
Number of rings: 7

     

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