General Information of the Compound
| Compound ID |
CP0462914
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(4-Chloro-5-((5-(furan-3-yl)thiazol-2-yl)methyl)-2-methoxyphenyl)-6-(hydroxymethyl)tetrahydro-2Hpyran-3,4,5-triol
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| Structure |
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| Formula |
C21H22ClNO7S
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| Molecular Weight |
467.927
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| Canonical SMILES |
COc1cc(Cl)c(Cc2ncc(s2)-c2ccoc2)cc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C21H22ClNO7S/c1-28-14-6-13(22)11(5-17-23-7-16(31-17)10-2-3-29-9-10)4-12(14)21-20(27)19(26)18(25)15(8-24)30-21/h2-4,6-7,9,15,18-21,24-27H,5,8H2,1H3/t15-,18-,19+,20-,21+/m1/s1
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| InChIKey |
OQDKIDRKHVAQOH-GRARQNNCSA-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