General Information of the Compound
| Compound ID |
CP0526446
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(1-(2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl)-1H-indazol-5-yl)-4-(benzyloxy)pyridin-2(1H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26N4O3
|
||||||||||||||||||
| Molecular Weight |
442.519
|
||||||||||||||||||
| Canonical SMILES |
O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(CCN3CC4CC3CO4)ncc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26N4O3/c31-26-14-23(32-17-19-4-2-1-3-5-19)8-9-29(26)21-6-7-25-20(12-21)15-27-30(25)11-10-28-16-24-13-22(28)18-33-24/h1-9,12,14-15,22,24H,10-11,13,16-18H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
RGLFFOVIUUFFFB-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: PT00897, Potassium voltage-gated channel subfamily H member 2