General Information of the Compound
| Compound ID |
CP0493414
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| Compound Name |
(1S,2S,3R,4R,5S)-5-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]-1-methoxy-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
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| Structure |
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| Formula |
C25H29ClO8
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| Molecular Weight |
492.952
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| Canonical SMILES |
CO[C@@]12CO[C@@](O1)([C@H](O)[C@@H](O)[C@@H]2O)c1ccc(Cl)c(Cc2ccc(OCCOC3CC3)cc2)c1
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| InChI |
InChI=1S/C25H29ClO8/c1-30-24-14-33-25(34-24,23(29)21(27)22(24)28)17-4-9-20(26)16(13-17)12-15-2-5-18(6-3-15)31-10-11-32-19-7-8-19/h2-6,9,13,19,21-23,27-29H,7-8,10-12,14H2,1H3/t21-,22-,23+,24-,25-/m0/s1
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| InChIKey |
BESHBYBBAJBMPC-GIDFYXQGSA-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