General Information of the Compound
| Compound ID |
CP0489167
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(3-((5-(Furan-2-yl)thiazol-2-yl)methyl)-4-(trifluoromethyl)phenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C21H20F3NO6S
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| Molecular Weight |
471.453
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(c(Cc2ncc(s2)-c2ccco2)c1)C(F)(F)F
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| InChI |
InChI=1S/C21H20F3NO6S/c22-21(23,24)12-4-3-10(20-19(29)18(28)17(27)14(9-26)31-20)6-11(12)7-16-25-8-15(32-16)13-2-1-5-30-13/h1-6,8,14,17-20,26-29H,7,9H2/t14-,17-,18+,19-,20+/m1/s1
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| InChIKey |
GWMWTMVAPOQIPH-QSWMPLQWSA-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