General Information of the Compound
| Compound ID |
CP0564226
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| Compound Name |
(2S,3R,4R,5S,6R)-2-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethyl)-4-chloro-2-fluorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C21H22ClFO5
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| Molecular Weight |
408.853
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cc(Cc2ccc3CCc3c2)c(Cl)cc1F
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| InChI |
InChI=1S/C21H22ClFO5/c22-15-8-16(23)14(21-20(27)19(26)18(25)17(9-24)28-21)7-13(15)6-10-1-2-11-3-4-12(11)5-10/h1-2,5,7-8,17-21,24-27H,3-4,6,9H2/t17-,18-,19+,20-,21+/m1/s1
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| InChIKey |
DKQJGAOWHSXWDW-ADAARDCZSA-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