General Information of the Compound
| Compound ID |
CP0479977
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| Compound Name |
(1S)-1,5-Anhydro-1-[3-(4-tert-butylbenzyl)-4-chlorophenyl]-1-thio-D-glucitol
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| Structure |
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| Formula |
C23H29ClO4S
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| Molecular Weight |
437.001
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| Canonical SMILES |
CC(C)(C)c1ccc(Cc2cc(ccc2Cl)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C23H29ClO4S/c1-23(2,3)16-7-4-13(5-8-16)10-15-11-14(6-9-17(15)24)22-21(28)20(27)19(26)18(12-25)29-22/h4-9,11,18-22,25-28H,10,12H2,1-3H3/t18-,19-,20+,21-,22+/m1/s1
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| InChIKey |
BXNCZSLAPQETHQ-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