General Information of the Compound
| Compound ID |
CP0409862
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| Compound Name |
US8980829, 13
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| Structure |
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| Formula |
C28H36ClNO8
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| Molecular Weight |
550.048
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CC(COc2ccc(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)C1
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| InChI |
InChI=1S/C28H36ClNO8/c1-28(2,3)38-27(35)30-12-17(13-30)15-36-20-7-4-16(5-8-20)10-19-11-18(6-9-21(19)29)26-25(34)24(33)23(32)22(14-31)37-26/h4-9,11,17,22-26,31-34H,10,12-15H2,1-3H3/t22-,23-,24+,25-,26+/m1/s1
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| InChIKey |
XDAYPZNILNASKX-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