General Information of the Compound
| Compound ID |
CP0516684
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| Compound Name |
US8614195, 2e
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| Structure |
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| Formula |
C28H36O9
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| Molecular Weight |
516.587
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| Canonical SMILES |
CCc1ccc(cc1Cc1ccc2OCCOc2c1)[C@@H]1O[C@H](COC(=O)OC(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C28H36O9/c1-5-17-7-8-18(14-19(17)12-16-6-9-20-21(13-16)34-11-10-33-20)26-25(31)24(30)23(29)22(36-26)15-35-27(32)37-28(2,3)4/h6-9,13-14,22-26,29-31H,5,10-12,15H2,1-4H3/t22-,23-,24+,25-,26+/m1/s1
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| InChIKey |
FMSDVNWYMFZBOI-RTJMFUJLSA-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