General Information of the Compound
| Compound ID |
CP0479981
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| Compound Name |
(1S)-1,5-Anhydro-1-[4-chloro-5-(4-ethylbenzyl)-2-methoxyphenyl]-1-thio-D-glucitol
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| Structure |
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| Formula |
C22H27ClO5S
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| Molecular Weight |
438.973
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| Canonical SMILES |
CCc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2Cl)cc1
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| InChI |
InChI=1S/C22H27ClO5S/c1-3-12-4-6-13(7-5-12)8-14-9-15(17(28-2)10-16(14)23)22-21(27)20(26)19(25)18(11-24)29-22/h4-7,9-10,18-22,24-27H,3,8,11H2,1-2H3/t18-,19-,20+,21-,22+/m1/s1
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| InChIKey |
ZCUPHXMNGVNWAQ-BDHVOXNPSA-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