General Information of the Compound
| Compound ID |
CP0517146
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| Compound Name |
3-Benzyl-4-methoxy-1-(beta-D-xylopyranosyl)-1H-indole
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| Structure |
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| Formula |
C21H23NO5
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| Molecular Weight |
369.417
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| Canonical SMILES |
COc1cccc2n(cc(Cc3ccccc3)c12)[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C21H23NO5/c1-26-17-9-5-8-15-18(17)14(10-13-6-3-2-4-7-13)11-22(15)21-20(25)19(24)16(23)12-27-21/h2-9,11,16,19-21,23-25H,10,12H2,1H3/t16-,19+,20-,21-/m1/s1
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| InChIKey |
IPWGITUSTQWODE-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