General Information of the Compound
| Compound ID |
CP0421707
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(4-chloro-5-(4-ethylbenzyl)-2-(2-(prop-2-ynyloxy)ethyl)phenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C26H31ClO6
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| Molecular Weight |
474.981
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| Canonical SMILES |
CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(CCOCC#C)cc2Cl)cc1
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| InChI |
InChI=1S/C26H31ClO6/c1-3-10-32-11-9-18-14-21(27)19(12-17-7-5-16(4-2)6-8-17)13-20(18)26-25(31)24(30)23(29)22(15-28)33-26/h1,5-8,13-14,22-26,28-31H,4,9-12,15H2,2H3/t22-,23-,24+,25-,26+/m1/s1
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| InChIKey |
DMHDNNYWKKEIJY-RTJMFUJLSA-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