General Information of the Compound
| Compound ID |
CP0466100
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| Compound Name |
4-((5-(4-chlorobenzylthio)-4-methyl-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 |
C20H16ClF3N4OS2
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| Molecular Weight |
484.956
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| Canonical SMILES |
Cn1c(CN2C(=O)CSc3ccc(cc23)C(F)(F)F)nnc1SCc1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H16ClF3N4OS2/c1-27-17(25-26-19(27)31-10-12-2-5-14(21)6-3-12)9-28-15-8-13(20(22,23)24)4-7-16(15)30-11-18(28)29/h2-8H,9-11H2,1H3
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| InChIKey |
XCSRSXRUZPDJHS-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: PT00292, Sodium/glucose cotransporter 1
Protein ID: PT03804, Sodium/glucose cotransporter 1
Protein ID: PT03888, Sodium/glucose cotransporter 1
Protein ID: PT02832, Sodium/glucose cotransporter 2
Protein ID: PT05217, Sodium/glucose cotransporter 2
Protein ID: PT02415, Sodium/glucose cotransporter 2