General Information of the Compound
| Compound ID |
CP0424398
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| Compound Name |
(E)-4-[4-[[2,4-dimethyl-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]-3-methoxyphenyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylbut-3-enamide
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| Structure |
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| Formula |
C32H45NO8
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| Molecular Weight |
571.711
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| Canonical SMILES |
COc1cc(\C=C\C(C)(C)C(=O)NC(C)(C)CO)ccc1Cc1cc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(C)cc1C
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| InChI |
InChI=1S/C32H45NO8/c1-18-12-19(2)23(29-28(38)27(37)26(36)25(16-34)41-29)15-22(18)14-21-9-8-20(13-24(21)40-7)10-11-31(3,4)30(39)33-32(5,6)17-35/h8-13,15,25-29,34-38H,14,16-17H2,1-7H3,(H,33,39)/b11-10+/t25-,26-,27+,28-,29+/m1/s1
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| InChIKey |
ZTNWTVVQAQGDNV-NQANJDNISA-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