General Information of the Compound
| Compound ID |
CP0373344
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-4-(2-phenylethynyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H29Cl2N3O
|
||||||||||||||||||
| Molecular Weight |
506.477
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(N2CCN(CCCCNC(=O)c3ccc(cc3)C#Cc3ccccc3)CC2)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H29Cl2N3O/c30-26-9-6-10-27(28(26)31)34-21-19-33(20-22-34)18-5-4-17-32-29(35)25-15-13-24(14-16-25)12-11-23-7-2-1-3-8-23/h1-3,6-10,13-16H,4-5,17-22H2,(H,32,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IZRFSGDNQRHHKW-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor