General Information of the Compound
| Compound ID |
CP0411695
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| Compound Name |
(E)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-[4-[[4-hydroxy-2-methyl-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)thian-2-yl]phenyl]methyl]phenyl]but-3-enamide
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| Structure |
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| Formula |
C28H37NO8S
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| Molecular Weight |
547.67
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| Canonical SMILES |
Cc1cc(O)c(cc1Cc1ccc(\C=C\CC(=O)NC(C)(CO)CO)cc1)[C@@H]1S[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C28H37NO8S/c1-16-10-21(33)20(27-26(37)25(36)24(35)22(13-30)38-27)12-19(16)11-18-8-6-17(7-9-18)4-3-5-23(34)29-28(2,14-31)15-32/h3-4,6-10,12,22,24-27,30-33,35-37H,5,11,13-15H2,1-2H3,(H,29,34)/b4-3+/t22-,24-,25+,26-,27+/m1/s1
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| InChIKey |
WZEKCKWDKGDCKF-SKTBJZJCSA-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