General Information of the Compound
| Compound ID |
CP0469920
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| Compound Name |
(1R,2S,3R,4R,5S)-5-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]-1-(difluoromethoxy)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
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| Structure |
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| Formula |
C25H27ClF2O8
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| Molecular Weight |
528.932
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| Canonical SMILES |
O[C@H]1[C@H](O)[C@@]2(CO[C@@](O2)([C@@H]1O)c1ccc(Cl)c(Cc2ccc(OCCOC3CC3)cc2)c1)OC(F)F
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| InChI |
InChI=1S/C25H27ClF2O8/c26-19-8-3-16(25-22(31)20(29)21(30)24(36-25,13-34-25)35-23(27)28)12-15(19)11-14-1-4-17(5-2-14)32-9-10-33-18-6-7-18/h1-5,8,12,18,20-23,29-31H,6-7,9-11,13H2/t20-,21-,22+,24-,25-/m0/s1
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| InChIKey |
GAXNLFIBLXVNHM-MBIDVBTESA-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