General Information of the Compound
| Compound ID |
CP0501855
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| Compound Name |
(6S,7R,8R,9S)-6-(3-(4-ethylbenzyl)-4-methylphenyl)-2,5-dioxaspiro[3.5]nonane-7,8,9-triol
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| Structure |
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| Formula |
C23H28O5
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| Molecular Weight |
384.472
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| Canonical SMILES |
CCc1ccc(Cc2cc(ccc2C)[C@@H]2OC3(COC3)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C23H28O5/c1-3-15-5-7-16(8-6-15)10-18-11-17(9-4-14(18)2)21-19(24)20(25)22(26)23(28-21)12-27-13-23/h4-9,11,19-22,24-26H,3,10,12-13H2,1-2H3/t19-,20-,21+,22+/m1/s1
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| InChIKey |
YAFAFLBOUPHQDL-CZYKHXBRSA-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