General Information of the Compound
| Compound ID |
CP0382875
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| Compound Name |
(3S,4R,5R,6S)-6-(4-chloro-3-(4-methoxybenzyl)phenyl)-2,2-bis(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C21H25ClO7
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| Molecular Weight |
424.877
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| Canonical SMILES |
COc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC(CO)(CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C21H25ClO7/c1-28-15-5-2-12(3-6-15)8-14-9-13(4-7-16(14)22)19-17(25)18(26)20(27)21(10-23,11-24)29-19/h2-7,9,17-20,23-27H,8,10-11H2,1H3/t17-,18-,19+,20+/m1/s1
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| InChIKey |
VDTAFRVZXXUACU-ZRNYENFQSA-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