General Information of the Compound
| Compound ID |
CP0126974
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[1-(4-fluorophenyl)-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]indol-5-yl]methyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H32FN5O2
|
||||||||||||||||||
| Molecular Weight |
477.584
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)NCc1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H32FN5O2/c1-19(34)30-17-20-2-7-26-24(16-20)25(18-33(26)23-5-3-22(28)4-6-23)21-8-11-31(12-9-21)14-15-32-13-10-29-27(32)35/h2-7,16,18,21H,8-15,17H2,1H3,(H,29,35)(H,30,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KEEXCUUQRQNRNF-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: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT02060, Alpha-1A adrenergic receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT01206, Histamine H1 receptor