General Information of the Compound
| Compound ID |
CP0512462
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(4-Chloro-2-ethoxy-5e((5-(4-fluorophenyl)thiazol-2-yl)methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C24H25ClFNO6S
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| Molecular Weight |
509.983
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| Canonical SMILES |
CCOc1cc(Cl)c(Cc2ncc(s2)-c2ccc(F)cc2)cc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C24H25ClFNO6S/c1-2-32-17-9-16(25)13(7-15(17)24-23(31)22(30)21(29)18(11-28)33-24)8-20-27-10-19(34-20)12-3-5-14(26)6-4-12/h3-7,9-10,18,21-24,28-31H,2,8,11H2,1H3/t18-,21-,22+,23-,24+/m1/s1
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| InChIKey |
OCQURYMZPWJANE-MWFZDGHISA-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