General Information of the Compound
| Compound ID |
CP0523647
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| Compound Name |
4-Chloro-3-{4-[2-(2-ethoxyethoxy)ethoxy]benzyl}-1-(beta-D-xylopyranosyl)-1H-indole
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| Structure |
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| Formula |
C26H32ClNO7
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| Molecular Weight |
505.995
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| Canonical SMILES |
CCOCCOCCOc1ccc(Cc2cn([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c3cccc(Cl)c23)cc1
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| InChI |
InChI=1S/C26H32ClNO7/c1-2-32-10-11-33-12-13-34-19-8-6-17(7-9-19)14-18-15-28(21-5-3-4-20(27)23(18)21)26-25(31)24(30)22(29)16-35-26/h3-9,15,22,24-26,29-31H,2,10-14,16H2,1H3/t22-,24+,25-,26-/m1/s1
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| InChIKey |
SFEVCRSRCCGAEL-BIGMCNFVSA-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