General Information of the Compound
| Compound ID |
CP0447423
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| Compound Name |
(6S,7R,8R,9S)-6-(4-chloro-3-(4-ethoxybenzyl)phenyl)-2,5-dioxaspiro[3.5]nonane-7,8,9-triol
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| Structure |
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| Formula |
C22H25ClO6
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| Molecular Weight |
420.889
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| Canonical SMILES |
CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC3(COC3)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C22H25ClO6/c1-2-28-16-6-3-13(4-7-16)9-15-10-14(5-8-17(15)23)20-18(24)19(25)21(26)22(29-20)11-27-12-22/h3-8,10,18-21,24-26H,2,9,11-12H2,1H3/t18-,19-,20+,21+/m1/s1
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| InChIKey |
FRZZZSBXSMTOTQ-CGXNFDGLSA-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