General Information of the Compound
| Compound ID |
CP0310397
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Benzyl-[2-(5-methoxy-1H-indol-3-yl)-ethyl]-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H20N2O
|
||||||||||||||||||
| Molecular Weight |
280.371
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2[nH]cc(CCNCc3ccccc3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H20N2O/c1-21-16-7-8-18-17(11-16)15(13-20-18)9-10-19-12-14-5-3-2-4-6-14/h2-8,11,13,19-20H,9-10,12H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FQRAHCLOFRBKKA-UHFFFAOYSA-N
|
||||||||||||||||||
| CAS |
25100-31-6
|
||||||||||||||||||
| 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