General Information of the Compound
| Compound ID |
CP0415674
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| Compound Name |
8-chloro-2-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
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| Structure |
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| Formula |
C19H19Cl2N3O6
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| Molecular Weight |
456.282
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cn2nc3c(Cl)cccn3c2=O)c1
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| InChI |
InChI=1S/C19H19Cl2N3O6/c20-11-4-3-9(17-16(28)15(27)14(26)13(8-25)30-17)6-10(11)7-24-19(29)23-5-1-2-12(21)18(23)22-24/h1-6,13-17,25-28H,7-8H2/t13-,14-,15+,16-,17+/m1/s1
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| InChIKey |
BCPIPDAATCIVJJ-UUAJXVIYSA-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