General Information of the Compound
| Compound ID |
CP0499949
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| Compound Name |
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[4-[(3-hydroxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]oxane-3,4,5-triol
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| Structure |
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| Formula |
C17H19F3N2O7
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| Molecular Weight |
420.34
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| Canonical SMILES |
OC[C@H]1O[C@@H](Oc2[nH]nc(c2Cc2cccc(O)c2)C(F)(F)F)[C@H](O)[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C17H19F3N2O7/c18-17(19,20)14-9(5-7-2-1-3-8(24)4-7)15(22-21-14)29-16-13(27)12(26)11(25)10(6-23)28-16/h1-4,10-13,16,23-27H,5-6H2,(H,21,22)/t10-,11-,12+,13-,16+/m1/s1
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| InChIKey |
SECXJIPBKZMDDF-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