General Information of the Compound
| Compound ID |
CP0469922
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| Compound Name |
(1R,2S,3R,4R,5S)-5-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]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 |
C24H25ClF2O8
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| Molecular Weight |
514.905
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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(O[C@H]3CCOC3)cc2)c1)OC(F)F
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| InChI |
InChI=1S/C24H25ClF2O8/c25-18-6-3-15(24-21(30)19(28)20(29)23(35-24,12-32-24)34-22(26)27)10-14(18)9-13-1-4-16(5-2-13)33-17-7-8-31-11-17/h1-6,10,17,19-22,28-30H,7-9,11-12H2/t17-,19-,20-,21+,23-,24-/m0/s1
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| InChIKey |
PPJUFJBHZWDNET-LKNJQJTNSA-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