General Information of the Compound
| Compound ID |
CP0433056
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| Compound Name |
2-(2,6-dimethoxyphenyl)-3-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one
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| Structure |
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| Formula |
C19H18F3NO4S
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| Molecular Weight |
413.417
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| Canonical SMILES |
COc1cccc(OC)c1C1SCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C19H18F3NO4S/c1-25-14-4-3-5-15(26-2)17(14)18-23(16(24)11-28-18)10-12-6-8-13(9-7-12)27-19(20,21)22/h3-9,18H,10-11H2,1-2H3
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| InChIKey |
PJFKYDHJQFKZOC-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
Protein ID: PT01132, Orexin receptor type 2
Protein ID: PT02001, Orexin/Hypocretin receptor type 1