General Information of the Compound
| Compound ID |
CP0513434
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| Compound Name |
(2S,3R,4S,5S,6R)-2-[[4-benzyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C17H19F3N2O6
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| Molecular Weight |
404.341
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| Canonical SMILES |
OC[C@H]1O[C@@H](Oc2[nH]nc(c2Cc2ccccc2)C(F)(F)F)[C@H](O)[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C17H19F3N2O6/c18-17(19,20)14-9(6-8-4-2-1-3-5-8)15(22-21-14)28-16-13(26)12(25)11(24)10(7-23)27-16/h1-5,10-13,16,23-26H,6-7H2,(H,21,22)/t10-,11-,12+,13-,16+/m1/s1
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| InChIKey |
BWVBGVJIPCDCGT-VBTGVMJWSA-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