General Information of the Compound
| Compound ID |
CP0401579
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| Compound Name |
(2S,3R,4R,5R)-2-[4-Chloro-3-(4-ethoxy-benzyl)-phenyl]-5-fluoro-6-methoxy-tetrahydro-pyran-3,4-diol
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| Structure |
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| Formula |
C21H24ClFO5
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| Molecular Weight |
410.869
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| Canonical SMILES |
CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC(OC)[C@H](F)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C21H24ClFO5/c1-3-27-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-19(25)18(24)17(23)21(26-2)28-20/h4-9,11,17-21,24-25H,3,10H2,1-2H3/t17-,18+,19-,20+,21?/m1/s1
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| InChIKey |
JFVIJDSBSHXAJV-DQKSBWHRSA-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