General Information of the Compound
| Compound ID |
CP0452237
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| Compound Name |
(2S,3R,4S,5S,6R)-2-[[5-tert-butyl-4-[(2-phenylmethoxyphenyl)methyl]-1H-pyrazol-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C27H34N2O7
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| Molecular Weight |
498.576
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| Canonical SMILES |
CC(C)(C)c1n[nH]c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccccc1OCc1ccccc1
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| InChI |
InChI=1S/C27H34N2O7/c1-27(2,3)24-18(13-17-11-7-8-12-19(17)34-15-16-9-5-4-6-10-16)25(29-28-24)36-26-23(33)22(32)21(31)20(14-30)35-26/h4-12,20-23,26,30-33H,13-15H2,1-3H3,(H,28,29)/t20-,21-,22+,23-,26+/m1/s1
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| InChIKey |
UVJHZUDYSGNXSW-OPMJLWCUSA-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