General Information of the Compound
| Compound ID |
CP0378598
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| Compound Name |
4-Chloro-3-(2-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 |
COc1ccccc1Cc1cn([C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c2cccc(Cl)c12
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| InChI |
InChI=1S/C21H22ClNO5/c1-27-17-8-3-2-5-12(17)9-13-10-23(15-7-4-6-14(22)18(13)15)21-20(26)19(25)16(24)11-28-21/h2-8,10,16,19-21,24-26H,9,11H2,1H3/t16-,19+,20-,21-/m1/s1
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| InChIKey |
BXJWYEWSTTXTSO-UMSONDCASA-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