General Information of the Compound
| Compound ID |
CP0478482
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| Compound Name |
(2S,3R,4R,5S,6S)-2-(4-chloro-3-((5-(furan-2-yl)thiazol-2-yl)methyl)phenyl)-6-(difluoromethyl)tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C20H18ClF2NO5S
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| Molecular Weight |
457.882
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| Canonical SMILES |
O[C@H]1[C@H](O)[C@H](O[C@H]([C@@H]1O)c1ccc(Cl)c(Cc2ncc(s2)-c2ccco2)c1)C(F)F
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| InChI |
InChI=1S/C20H18ClF2NO5S/c21-11-4-3-9(18-16(26)15(25)17(27)19(29-18)20(22)23)6-10(11)7-14-24-8-13(30-14)12-2-1-5-28-12/h1-6,8,15-20,25-27H,7H2/t15-,16-,17+,18+,19+/m1/s1
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| InChIKey |
RVEQZNWBFLPFSQ-GFEQUFNTSA-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