General Information of the Compound
| Compound ID |
CP0522169
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-Chloro-3-(3-fluoro-4-methoxybenzyl)-1-(beta-D-xylopyranosyl)-1H-indole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21ClFNO5
|
||||||||||||||||||
| Molecular Weight |
421.852
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Cc2cn([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c3cccc(Cl)c23)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21ClFNO5/c1-28-17-6-5-11(8-14(17)23)7-12-9-24(15-4-2-3-13(22)18(12)15)21-20(27)19(26)16(25)10-29-21/h2-6,8-9,16,19-21,25-27H,7,10H2,1H3/t16-,19+,20-,21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FDMQFIKFOAIFDJ-UMSONDCASA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound