General Information of the Compound
| Compound ID |
CP0529847
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(4-Chloro-2-fluoro-5-((5-(4-fluorophenyl)thiazol-2-yl)methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C22H20ClF2NO5S
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| Molecular Weight |
483.92
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cc(Cc2ncc(s2)-c2ccc(F)cc2)c(Cl)cc1F
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| InChI |
InChI=1S/C22H20ClF2NO5S/c23-14-7-15(25)13(22-21(30)20(29)19(28)16(9-27)31-22)5-11(14)6-18-26-8-17(32-18)10-1-3-12(24)4-2-10/h1-5,7-8,16,19-22,27-30H,6,9H2/t16-,19-,20+,21-,22+/m1/s1
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| InChIKey |
LJXXIGBMAKOUJN-OSKXVONFSA-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