General Information of the Compound
| Compound ID |
CP0416008
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[1-(azepan-1-yl)ethyl]-8-methylquinolin-7-yl]-4-(cyclopropylmethoxy)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H35N3O2
|
||||||||||||||||||
| Molecular Weight |
457.618
|
||||||||||||||||||
| Canonical SMILES |
CC(N1CCCCCC1)c1cnc2c(C)c(NC(=O)c3ccc(OCC4CC4)cc3)ccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H35N3O2/c1-20-27(31-29(33)23-9-12-26(13-10-23)34-19-22-7-8-22)14-11-24-17-25(18-30-28(20)24)21(2)32-15-5-3-4-6-16-32/h9-14,17-18,21-22H,3-8,15-16,19H2,1-2H3,(H,31,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IFEFDWUIXYPIMI-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: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT01388, Melanin-concentrating hormone receptor 1