General Information of the Compound
| Compound ID |
CP0494661
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31F3N4O3
|
||||||||||||||||||
| Molecular Weight |
528.575
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31F3N4O3/c1-19-16-26(35-14-10-21(11-15-35)34-12-2-3-13-34)33-25-9-4-20(17-24(19)25)32-27(36)18-37-22-5-7-23(8-6-22)38-28(29,30)31/h4-9,16-17,21H,2-3,10-15,18H2,1H3,(H,32,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ROIFDGZSVAMLHB-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: PT02767, Melanin-concentrating hormone receptor 2