General Information of the Compound
| Compound ID |
CP0389348
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| Compound Name |
2-[[(E)-4-[4-[[4-hydroxy-2-methyl-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenyl]but-3-enoyl]amino]-2-methylpropanamide
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| Structure |
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| Formula |
C28H36N2O8
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| Molecular Weight |
528.602
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| Canonical SMILES |
Cc1cc(O)c(cc1Cc1ccc(\C=C\CC(=O)NC(C)(C)C(N)=O)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C28H36N2O8/c1-15-11-20(32)19(26-25(36)24(35)23(34)21(14-31)38-26)13-18(15)12-17-9-7-16(8-10-17)5-4-6-22(33)30-28(2,3)27(29)37/h4-5,7-11,13,21,23-26,31-32,34-36H,6,12,14H2,1-3H3,(H2,29,37)(H,30,33)/b5-4+/t21-,23-,24+,25-,26+/m1/s1
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| InChIKey |
NUXYOIJEKZVSHK-RAGMMEQRSA-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