General Information of the Compound
| Compound ID |
CP0510336
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(4-chloro-5-(4-ethylbenzyl)-2-((2,2,2-trifluoroethoxy)methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C24H28ClF3O6
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| Molecular Weight |
504.929
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| Canonical SMILES |
CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCC(F)(F)F)cc2Cl)cc1
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| InChI |
InChI=1S/C24H28ClF3O6/c1-2-13-3-5-14(6-4-13)7-15-8-17(16(9-18(15)25)11-33-12-24(26,27)28)23-22(32)21(31)20(30)19(10-29)34-23/h3-6,8-9,19-23,29-32H,2,7,10-12H2,1H3/t19-,20-,21+,22-,23+/m1/s1
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| InChIKey |
QQPIMULISSQJNK-ZQGJOIPISA-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