General Information of the Compound
| Compound ID |
CP0486577
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| Compound Name |
US8614195, 2f
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| Structure |
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| Formula |
C32H40O9
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| Molecular Weight |
568.663
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| Canonical SMILES |
CCc1ccc(cc1Cc1ccc2OCCOc2c1)[C@@H]1O[C@H](COC(=O)OCC2CC3CCC2C3)[C@@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C32H40O9/c1-2-20-6-7-22(15-23(20)12-19-4-8-25-26(14-19)38-10-9-37-25)31-30(35)29(34)28(33)27(41-31)17-40-32(36)39-16-24-13-18-3-5-21(24)11-18/h4,6-8,14-15,18,21,24,27-31,33-35H,2-3,5,9-13,16-17H2,1H3/t18?,21?,24?,27-,28-,29+,30-,31+/m1/s1
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| InChIKey |
NAFBHWUHIAXQGV-GJJBMOJJSA-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