General Information of the Compound
| Compound ID |
CP0082575
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-Phenyl-4-(4-phenylethynyl-1H-pyrrol-2-ylmethyl)-piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23N3
|
||||||||||||||||||
| Molecular Weight |
341.458
|
||||||||||||||||||
| Canonical SMILES |
C(N1CCN(CC1)c1ccccc1)c1cc(c[nH]1)C#Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23N3/c1-3-7-20(8-4-1)11-12-21-17-22(24-18-21)19-25-13-15-26(16-14-25)23-9-5-2-6-10-23/h1-10,17-18,24H,13-16,19H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
VZNBDFOHHGDJKC-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