General Information of the Compound
| Compound ID |
CP0466664
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(1-adamantyl)-N-[2-(4-methoxyphenyl)quinolin-5-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H30N2O2
|
||||||||||||||||||
| Molecular Weight |
426.56
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-c1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H30N2O2/c1-32-22-7-5-21(6-8-22)24-10-9-23-25(29-24)3-2-4-26(23)30-27(31)17-28-14-18-11-19(15-28)13-20(12-18)16-28/h2-10,18-20H,11-17H2,1H3,(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PHFCELLDNIZFRA-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: PT03393, P2X purinoceptor 3
Protein ID: PT01449, P2X purinoceptor 7