General Information of the Compound
| Compound ID |
CP0400642
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-chloro-3-(1-hydroxyethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28ClN3O2
|
||||||||||||||||||
| Molecular Weight |
425.96
|
||||||||||||||||||
| Canonical SMILES |
CC(O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)N1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28ClN3O2/c1-16(29)22-20-15-18(25)7-10-21(20)27-23(22)24(30)26-12-11-17-5-8-19(9-6-17)28-13-3-2-4-14-28/h5-10,15-16,27,29H,2-4,11-14H2,1H3,(H,26,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AFRWXKHLYPWETA-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2