General Information of the Compound
| Compound ID |
CP0526880
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(cyclopropylmethoxy)-N-[8-methyl-3-[1-(4-methylpiperazin-1-yl)ethyl]quinolin-7-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H34N4O2
|
||||||||||||||||||
| Molecular Weight |
458.606
|
||||||||||||||||||
| Canonical SMILES |
CC(N1CCN(C)CC1)c1cnc2c(C)c(NC(=O)c3ccc(OCC4CC4)cc3)ccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H34N4O2/c1-19-26(30-28(33)22-6-9-25(10-7-22)34-18-21-4-5-21)11-8-23-16-24(17-29-27(19)23)20(2)32-14-12-31(3)13-15-32/h6-11,16-17,20-21H,4-5,12-15,18H2,1-3H3,(H,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GCVIBCLEAUEYBP-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