General Information of the Compound
| Compound ID |
CP0544832
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| Compound Name |
5-[[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
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| Structure |
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| Formula |
C19H21N3O3S
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| Molecular Weight |
371.462
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| Canonical SMILES |
CCN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
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| InChI |
InChI=1S/C19H21N3O3S/c1-2-22(17-5-3-4-10-20-17)11-12-25-15-8-6-14(7-9-15)13-16-18(23)21-19(24)26-16/h3-10,16H,2,11-13H2,1H3,(H,21,23,24)
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| InChIKey |
ZLMFZZNLVHHKFB-UHFFFAOYSA-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