General Information of the Compound
| Compound ID |
CP0383014
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(cyclopropylmethoxy)-N-[8-methyl-3-[(2-methylpyrrolidin-1-yl)methyl]quinolin-7-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H31N3O2
|
||||||||||||||||||
| Molecular Weight |
429.564
|
||||||||||||||||||
| Canonical SMILES |
CC1CCCN1Cc1cnc2c(C)c(NC(=O)c3ccc(OCC4CC4)cc3)ccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H31N3O2/c1-18-4-3-13-30(18)16-21-14-23-9-12-25(19(2)26(23)28-15-21)29-27(31)22-7-10-24(11-8-22)32-17-20-5-6-20/h7-12,14-15,18,20H,3-6,13,16-17H2,1-2H3,(H,29,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AQKXMQBBHLZKDC-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