General Information of the Compound
| Compound ID |
CP0451864
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-((4-(4-fluorophenyl)piperazin-1-yl)methyl)-1H-indole-5-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19FN4
|
||||||||||||||||||
| Molecular Weight |
334.398
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1)N1CCN(Cc2cc3cc(ccc3[nH]2)C#N)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19FN4/c21-17-2-4-19(5-3-17)25-9-7-24(8-10-25)14-18-12-16-11-15(13-22)1-6-20(16)23-18/h1-6,11-12,23H,7-10,14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
VEYSGMPQWOSGTB-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