General Information of the Compound
| Compound ID |
CP0550429
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| Compound Name |
(2S,3R,4R,5S,6R)-2-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethyl)-2-fluoro-4-methoxyphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C22H25FO6
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| Molecular Weight |
404.434
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| Canonical SMILES |
COc1cc(F)c(cc1Cc1ccc2CCc2c1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C22H25FO6/c1-28-17-9-16(23)15(22-21(27)20(26)19(25)18(10-24)29-22)8-14(17)7-11-2-3-12-4-5-13(12)6-11/h2-3,6,8-9,18-22,24-27H,4-5,7,10H2,1H3/t18-,19-,20+,21-,22+/m1/s1
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| InChIKey |
FDESWQZZMBYHGC-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