General Information of the Compound
| Compound ID |
CP0438998
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(4-chloro-2-((2,2-difluoropropoxy)methyl)-5-(4-ethylbenzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C25H31ClF2O6
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| Molecular Weight |
500.966
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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(C)(F)F)cc2Cl)cc1
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| InChI |
InChI=1S/C25H31ClF2O6/c1-3-14-4-6-15(7-5-14)8-16-9-18(17(10-19(16)26)12-33-13-25(2,27)28)24-23(32)22(31)21(30)20(11-29)34-24/h4-7,9-10,20-24,29-32H,3,8,11-13H2,1-2H3/t20-,21-,22+,23-,24+/m1/s1
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| InChIKey |
DGGZVTOTLFJBFE-SJSRKZJXSA-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