General Information of the Compound
| Compound ID |
CP0220827
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[5-(cyclopenten-1-yl)pyridin-3-yl]methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H28N2O2
|
||||||||||||||||||
| Molecular Weight |
364.489
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)Cc2cccc(OCCNCc3cncc(c3)C3=CCCC3)c2O1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H28N2O2/c1-23(2)13-19-8-5-9-21(22(19)27-23)26-11-10-24-14-17-12-20(16-25-15-17)18-6-3-4-7-18/h5-6,8-9,12,15-16,24H,3-4,7,10-11,13-14H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XJUROKFTAHXDMI-UHFFFAOYSA-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