General Information of the Compound
| Compound ID |
CP0400661
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| Compound Name |
1-(5-chloro-4-(4-ethylbenzyl)-2-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2Hpyran-2-yl)benzyloxy)propan-2-one
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| Structure |
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| Formula |
C25H31ClO7
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| Molecular Weight |
478.969
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| Canonical SMILES |
CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCC(C)=O)cc2Cl)cc1
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| InChI |
InChI=1S/C25H31ClO7/c1-3-15-4-6-16(7-5-15)8-17-9-19(18(10-20(17)26)13-32-12-14(2)28)25-24(31)23(30)22(29)21(11-27)33-25/h4-7,9-10,21-25,27,29-31H,3,8,11-13H2,1-2H3/t21-,22-,23+,24-,25+/m1/s1
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| InChIKey |
KWOWHAUICILTFI-RXFVIIJJSA-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