General Information of the Compound
| Compound ID |
CP0379482
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-(cyclopropanecarbonylamino)ethyl]-N-methyl-1-benzofuran-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H18N2O3
|
||||||||||||||||||
| Molecular Weight |
286.331
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)c1ccc2occ(CCNC(=O)C3CC3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H18N2O3/c1-17-15(19)11-4-5-14-13(8-11)12(9-21-14)6-7-18-16(20)10-2-3-10/h4-5,8-10H,2-3,6-7H2,1H3,(H,17,19)(H,18,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HPNFNZLUXKUCMM-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
Protein ID: PT01843, Melatonin receptor type 1A
Protein ID: PT02174, Melatonin receptor type 1B