General Information of the Compound
| Compound ID |
CP0522162
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| Compound Name |
4-Chloro-3-(2,4-dimethoxybenzyl)-1-(beta-D-xylopyranosyl)-1Hindole
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| Structure |
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| Formula |
C22H24ClNO6
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| Molecular Weight |
433.888
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| Canonical SMILES |
COc1ccc(Cc2cn([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c3cccc(Cl)c23)c(OC)c1
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| InChI |
InChI=1S/C22H24ClNO6/c1-28-14-7-6-12(18(9-14)29-2)8-13-10-24(16-5-3-4-15(23)19(13)16)22-21(27)20(26)17(25)11-30-22/h3-7,9-10,17,20-22,25-27H,8,11H2,1-2H3/t17-,20+,21-,22-/m1/s1
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| InChIKey |
IBURDAYICISLFF-XYEHWOGUSA-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