General Information of the Compound
| Compound ID |
CP0399424
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| Compound Name |
2-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]-7-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-one
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| Structure |
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| Formula |
C21H21ClF3N3O7
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| Molecular Weight |
519.86
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cn2nc3cc(OCC(F)(F)F)ccn3c2=O)c1
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| InChI |
InChI=1S/C21H21ClF3N3O7/c22-13-2-1-10(19-18(32)17(31)16(30)14(8-29)35-19)5-11(13)7-28-20(33)27-4-3-12(6-15(27)26-28)34-9-21(23,24)25/h1-6,14,16-19,29-32H,7-9H2/t14-,16-,17+,18-,19+/m1/s1
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| InChIKey |
DSVYCABVSINRIA-FTWQHDNSSA-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