General Information of the Compound
| Compound ID |
CP0416344
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| Compound Name |
1-(beta-D-Glucopyranosyl)-4-chloro-3-(2-ethyl-5-pyridylmethyl)benzene
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| Structure |
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| Formula |
C20H24ClNO6
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| Molecular Weight |
409.866
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| Canonical SMILES |
CCc1ccc(Cc2c(Cl)cccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cn1
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| InChI |
InChI=1S/C20H24ClNO6/c1-2-12-7-6-11(9-22-12)8-13-14(21)4-3-5-15(13)27-20-19(26)18(25)17(24)16(10-23)28-20/h3-7,9,16-20,23-26H,2,8,10H2,1H3/t16-,17-,18+,19-,20-/m1/s1
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| InChIKey |
IQXGHHZWKYUUIG-OUUBHVDSSA-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