General Information of the Compound
| Compound ID |
CP0456106
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1'-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28ClN3O2
|
||||||||||||||||||
| Molecular Weight |
425.96
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(OC2CCN(CCN3CCC4(C3)C(=O)Nc3ccccc43)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28ClN3O2/c25-18-5-7-19(8-6-18)30-20-9-12-27(13-10-20)15-16-28-14-11-24(17-28)21-3-1-2-4-22(21)26-23(24)29/h1-8,20H,9-17H2,(H,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YRWDPUXXVQWYCW-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7