General Information of the Compound
| Compound ID |
CP0559037
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| Compound Name |
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-[(methoxyamino)methyl]oxane-3,4,5-triol
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| Structure |
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| Formula |
C22H28ClNO6
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| Molecular Weight |
437.92
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| Canonical SMILES |
CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CNOC)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C22H28ClNO6/c1-3-29-16-7-4-13(5-8-16)10-15-11-14(6-9-17(15)23)22-21(27)20(26)19(25)18(30-22)12-24-28-2/h4-9,11,18-22,24-27H,3,10,12H2,1-2H3/t18-,19-,20+,21-,22+/m1/s1
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| InChIKey |
XFEYKYIUDLHUCJ-BDHVOXNPSA-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