General Information of the Compound
| Compound ID |
CP0409846
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| Compound Name |
US8980829, 12
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| Structure |
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| Formula |
C23H26ClFO7
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| Molecular Weight |
468.905
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(OCC3(F)COC3)cc2)c1
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| InChI |
InChI=1S/C23H26ClFO7/c24-17-6-3-14(22-21(29)20(28)19(27)18(9-26)32-22)8-15(17)7-13-1-4-16(5-2-13)31-12-23(25)10-30-11-23/h1-6,8,18-22,26-29H,7,9-12H2/t18-,19-,20+,21-,22+/m1/s1
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| InChIKey |
CNQVHVWNQLCKLX-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