General Information of the Compound
| Compound ID |
CP0377484
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| Compound Name |
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[5-methyl-4-[(2-phenylmethoxyphenyl)methyl]-1H-pyrazol-3-yl]oxy]oxane-3,4,5-triol
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| Structure |
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| Formula |
C24H28N2O7
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| Molecular Weight |
456.495
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| Canonical SMILES |
Cc1[nH]nc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccccc1OCc1ccccc1
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| InChI |
InChI=1S/C24H28N2O7/c1-14-17(11-16-9-5-6-10-18(16)31-13-15-7-3-2-4-8-15)23(26-25-14)33-24-22(30)21(29)20(28)19(12-27)32-24/h2-10,19-22,24,27-30H,11-13H2,1H3,(H,25,26)/t19-,20-,21+,22-,24+/m1/s1
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| InChIKey |
RYUGTJGWTQQEQV-AREVGRJGSA-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