General Information of the Compound
| Compound ID |
CP0497726
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-fluoro-N-(3-(1-(2-(piperidin-1-yl)ethyl)piperidin-4-yl)-1H-indol-5-yl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H33FN4O
|
||||||||||||||||||
| Molecular Weight |
448.586
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCN4CCCCC4)CC3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H33FN4O/c28-22-6-4-21(5-7-22)27(33)30-23-8-9-26-24(18-23)25(19-29-26)20-10-14-32(15-11-20)17-16-31-12-2-1-3-13-31/h4-9,18-20,29H,1-3,10-17H2,(H,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WUKJFFSFJUWZQU-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D