General Information of the Compound
| Compound ID |
CP0522289
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(4-chloro-3-((5-(furan-2-yl)thiazol-2-yl)methyl)phenyl)-6-((S)-1-hydroxybut-3-enyl)tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C23H24ClNO6S
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| Molecular Weight |
477.966
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| Canonical SMILES |
OC(CC=C)[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/C23H24ClNO6S/c1-2-4-15(26)23-21(29)19(27)20(28)22(31-23)12-6-7-14(24)13(9-12)10-18-25-11-17(32-18)16-5-3-8-30-16/h2-3,5-9,11,15,19-23,26-29H,1,4,10H2/t15?,19-,20-,21+,22+,23-/m1/s1
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| InChIKey |
OBXCGROOPQBZRX-XXGBSEDBSA-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