General Information of the Compound
| Compound ID |
CP0539004
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(3S)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H20N2O2
|
||||||||||||||||||
| Molecular Weight |
260.337
|
||||||||||||||||||
| Canonical SMILES |
CCC(=O)N[C@H]1CCN(C1)c1cccc2OCCc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H20N2O2/c1-2-15(18)16-11-6-8-17(10-11)13-4-3-5-14-12(13)7-9-19-14/h3-5,11H,2,6-10H2,1H3,(H,16,18)/t11-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JNAKEKOTQGGNFU-NSHDSACASA-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
Protein ID: PT01843, Melatonin receptor type 1A
Protein ID: PT02174, Melatonin receptor type 1B