General Information of the Compound
| Compound ID |
CP0425966
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| Compound Name |
4-((5-(4-chlorobenzylthio)-4-isopropyl-4H-1,2,4-triazol-3-yl)methyl)-6-(trifluoromethyl)-2H-benzo[b][1,4]thiazin-3(4H)-one
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| Structure |
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| Formula |
C22H20ClF3N4OS2
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| Molecular Weight |
513.01
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| Canonical SMILES |
CC(C)n1c(CN2C(=O)CSc3ccc(cc23)C(F)(F)F)nnc1SCc1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H20ClF3N4OS2/c1-13(2)30-19(27-28-21(30)33-11-14-3-6-16(23)7-4-14)10-29-17-9-15(22(24,25)26)5-8-18(17)32-12-20(29)31/h3-9,13H,10-12H2,1-2H3
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| InChIKey |
XFGPZUXJDLWGRB-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: PT03804, Sodium/glucose cotransporter 1
Protein ID: PT02415, Sodium/glucose cotransporter 2