General Information of the Compound
| Compound ID |
CP0508654
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| Compound Name |
(2S,3S,4R,5R,6S)-methyl 6-(4-chloro-3-((5-(furan-2-yl)thiazol-2-yl)methyl)phenyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate
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| Structure |
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| Formula |
C21H20ClNO7S
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| Molecular Weight |
465.911
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| Canonical SMILES |
COC(=O)[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ncc(s2)-c2ccco2)c1
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| InChI |
InChI=1S/C21H20ClNO7S/c1-28-21(27)20-18(26)16(24)17(25)19(30-20)10-4-5-12(22)11(7-10)8-15-23-9-14(31-15)13-3-2-6-29-13/h2-7,9,16-20,24-26H,8H2,1H3/t16-,17-,18+,19+,20+/m1/s1
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| InChIKey |
AYBPPTQVTACQNX-SLHNCBLASA-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