General Information of the Compound
| Compound ID |
CP0494851
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| Compound Name |
3-Benzyl-4-methyl-1-(beta-D-xylopyranosyl)-1H-indole
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| Structure |
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| Formula |
C21H23NO4
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| Molecular Weight |
353.418
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| Canonical SMILES |
Cc1cccc2n(cc(Cc3ccccc3)c12)[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C21H23NO4/c1-13-6-5-9-16-18(13)15(10-14-7-3-2-4-8-14)11-22(16)21-20(25)19(24)17(23)12-26-21/h2-9,11,17,19-21,23-25H,10,12H2,1H3/t17-,19+,20-,21-/m1/s1
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| InChIKey |
XXGRAVQYCSJPMP-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