General Information of the Compound
| Compound ID |
CP0438141
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| Compound Name |
(E)-N-(1-hydroxy-2-methylpropan-2-yl)-4-[4-[[4-hydroxy-2-propan-2-yl-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]-3-methylphenyl]-2,2-dimethylbut-3-enamide
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| Structure |
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| Formula |
C33H47NO8
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| Molecular Weight |
585.738
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| Canonical SMILES |
CC(C)c1cc(O)c(cc1Cc1ccc(\C=C\C(C)(C)C(=O)NC(C)(C)CO)cc1C)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C33H47NO8/c1-18(2)23-15-25(37)24(30-29(40)28(39)27(38)26(16-35)42-30)14-22(23)13-21-9-8-20(12-19(21)3)10-11-32(4,5)31(41)34-33(6,7)17-36/h8-12,14-15,18,26-30,35-40H,13,16-17H2,1-7H3,(H,34,41)/b11-10+/t26-,27-,28+,29-,30+/m1/s1
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| InChIKey |
MWKPZSAYDCWXQK-MNTZPKNGSA-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