General Information of the Compound
| Compound ID |
CP0747120
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5-Chloro-1H-indol-2-yl)-piperidin-1-yl-methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H15ClN2O
|
||||||||||||||||||
| Molecular Weight |
262.74
|
||||||||||||||||||
| Canonical SMILES |
O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H15ClN2O/c15-11-4-5-12-10(8-11)9-13(16-12)14(18)17-6-2-1-3-7-17/h4-5,8-9,16H,1-3,6-7H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
JYJLUJUISXAZAF-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: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor