General Information of the Compound
| Compound ID |
CP0378174
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| Compound Name |
4-((5-(4-chlorobenzylthio)-4-ethyl-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 |
C21H18ClF3N4OS2
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| Molecular Weight |
498.983
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| Canonical SMILES |
CCn1c(CN2C(=O)CSc3ccc(cc23)C(F)(F)F)nnc1SCc1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H18ClF3N4OS2/c1-2-28-18(26-27-20(28)32-11-13-3-6-15(22)7-4-13)10-29-16-9-14(21(23,24)25)5-8-17(16)31-12-19(29)30/h3-9H,2,10-12H2,1H3
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| InChIKey |
JISBVVTYPJZOBK-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