General Information of the Compound
| Compound ID |
CP0466101
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| Compound Name |
4-((5-(4-chlorobenzylthio)-4-phenyl-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 |
C25H18ClF3N4OS2
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| Molecular Weight |
547.027
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| Canonical SMILES |
FC(F)(F)c1ccc2SCC(=O)N(Cc3nnc(SCc4ccc(Cl)cc4)n3-c3ccccc3)c2c1
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| InChI |
InChI=1S/C25H18ClF3N4OS2/c26-18-9-6-16(7-10-18)14-36-24-31-30-22(33(24)19-4-2-1-3-5-19)13-32-20-12-17(25(27,28)29)8-11-21(20)35-15-23(32)34/h1-12H,13-15H2
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| InChIKey |
QURMJODEXOHWMO-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