General Information of the Compound
| Compound ID |
CP0683278
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| Compound Name |
5-[1-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-phenyl}-meth-(Z)-ylidene]-thiazolidine-2,4-dione
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| Structure |
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| Formula |
C20H17N3O4S
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| Molecular Weight |
395.44
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| Canonical SMILES |
CN(CCOc1ccc(/C=C2\SC(=O)NC2=O)cc1)c1nc2ccccc2o1
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| InChI |
InChI=1S/C20H17N3O4S/c1-23(19-21-15-4-2-3-5-16(15)27-19)10-11-26-14-8-6-13(7-9-14)12-17-18(24)22-20(25)28-17/h2-9,12H,10-11H2,1H3,(H,22,24,25)/b17-12-
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| InChIKey |
WUKJUHJWWJVUFY-ATVHPVEESA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound