General Information of the Compound
| Compound ID |
CP0542422
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| Compound Name |
5-[[4-[(2S)-2-(5-ethylpyridin-2-yl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
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| Structure |
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| Formula |
C19H20N2O4S
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| Molecular Weight |
372.446
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| Canonical SMILES |
CCc1ccc(nc1)[C@H](O)COc1ccc(CC2SC(=O)NC2=O)cc1
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| InChI |
InChI=1S/C19H20N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,16-17,22H,2,9,11H2,1H3,(H,21,23,24)/t16-,17?/m1/s1
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| InChIKey |
RMTFRGFLVHAYCI-TZHYSIJRSA-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