General Information of the Compound
| Compound ID |
CP0462196
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| Compound Name |
(5Z)-5-[[4-[2-[1,3-benzothiazol-2-yl(ethyl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
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| Structure |
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| Formula |
C21H19N3O3S2
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| Molecular Weight |
425.535
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| Canonical SMILES |
CCN(CCOc1ccc(\C=C2/SC(=O)NC2=O)cc1)c1nc2ccccc2s1
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| InChI |
InChI=1S/C21H19N3O3S2/c1-2-24(20-22-16-5-3-4-6-17(16)28-20)11-12-27-15-9-7-14(8-10-15)13-18-19(25)23-21(26)29-18/h3-10,13H,2,11-12H2,1H3,(H,23,25,26)/b18-13-
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| InChIKey |
LODHKEHMEJTUCI-AQTBWJFISA-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