General Information of the Compound
| Compound ID |
CP0410065
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| Compound Name |
4-Chloro-3-(4-n-propylbenzyl)-1-(beta-D-xylopyranosyl)-1H-indole
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| Structure |
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| Formula |
C23H26ClNO4
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| Molecular Weight |
415.917
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| Canonical SMILES |
CCCc1ccc(Cc2cn([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c3cccc(Cl)c23)cc1
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| InChI |
InChI=1S/C23H26ClNO4/c1-2-4-14-7-9-15(10-8-14)11-16-12-25(18-6-3-5-17(24)20(16)18)23-22(28)21(27)19(26)13-29-23/h3,5-10,12,19,21-23,26-28H,2,4,11,13H2,1H3/t19-,21+,22-,23-/m1/s1
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| InChIKey |
OXAKZOLJPFEQCL-CWKRKGSWSA-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