General Information of the Compound
| Compound ID |
CP0456487
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| Compound Name |
US9688710, 37 2-methyl-2-(2-(4-(2-methyl-5-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(methylthio)tetrahydro-2H-pyran-2-yl)benzyl)phenoxy)acetamido)propanamide
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| Structure |
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| Formula |
C26H34N2O7S
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| Molecular Weight |
518.632
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| Canonical SMILES |
CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(OCC(=O)NC(C)(C)C(N)=O)cc2)c1
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| InChI |
InChI=1S/C26H34N2O7S/c1-14-5-8-16(23-21(31)20(30)22(32)24(35-23)36-4)12-17(14)11-15-6-9-18(10-7-15)34-13-19(29)28-26(2,3)25(27)33/h5-10,12,20-24,30-32H,11,13H2,1-4H3,(H2,27,33)(H,28,29)/t20-,21-,22+,23+,24-/m1/s1
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| InChIKey |
UGLVXQVNWHYFMO-URYYLNOGSA-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