General Information of the Compound
| Compound ID |
CP0523416
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| Compound Name |
4-Chloro-3-(3-methoxybenzyl)-1-(beta-D-xylopyranosyl)-1H-indole
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| Structure |
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| Formula |
C21H22ClNO5
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| Molecular Weight |
403.862
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| Canonical SMILES |
COc1cccc(Cc2cn([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c3cccc(Cl)c23)c1
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| InChI |
InChI=1S/C21H22ClNO5/c1-27-14-5-2-4-12(9-14)8-13-10-23(16-7-3-6-15(22)18(13)16)21-20(26)19(25)17(24)11-28-21/h2-7,9-10,17,19-21,24-26H,8,11H2,1H3/t17-,19+,20-,21-/m1/s1
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| InChIKey |
YAPHDFSKNABNOT-GFOJFJKKSA-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