General Information of the Compound
| Compound ID |
CP0417077
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[6-[4-(2,3-dichlorophenyl)piperazin-1-yl]hexyl]benzo[cd]indol-2-one;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H30Cl3N3O
|
||||||||||||||||||
| Molecular Weight |
518.916
|
||||||||||||||||||
| Canonical SMILES |
Cl.Clc1cccc(N2CCN(CCCCCCN3C(=O)c4cccc5cccc3c45)CC2)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29Cl2N3O.ClH/c28-22-11-7-13-24(26(22)29)31-18-16-30(17-19-31)14-3-1-2-4-15-32-23-12-6-9-20-8-5-10-21(25(20)23)27(32)33;/h5-13H,1-4,14-19H2;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
RGPRJSBINXTKTD-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
Protein ID: PT01005, D(2) dopamine receptor