General Information of the Compound
| Compound ID |
CP0552373
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| Compound Name |
(1S,2S,3R,4R,5S)-5-[4-chloro-3-[(4-ethoxy-3-fluorophenyl)methyl]phenyl]-1-propan-2-yloxy-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
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| Structure |
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| Formula |
C24H28ClFO7
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| Molecular Weight |
482.932
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| Canonical SMILES |
CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](OC(C)C)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1F
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| InChI |
InChI=1S/C24H28ClFO7/c1-4-30-19-8-5-14(10-18(19)26)9-15-11-16(6-7-17(15)25)24-22(29)20(27)21(28)23(33-24,12-31-24)32-13(2)3/h5-8,10-11,13,20-22,27-29H,4,9,12H2,1-3H3/t20-,21-,22+,23-,24-/m0/s1
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| InChIKey |
GFUUKEKKXHMNBY-LKTXNROYSA-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