General Information of the Compound
| Compound ID |
CP0410996
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-bromo-N-[2-[4-(1H-indol-2-ylmethyl)piperazin-1-yl]ethyl]aniline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25BrN4
|
||||||||||||||||||
| Molecular Weight |
413.363
|
||||||||||||||||||
| Canonical SMILES |
Brc1ccc(NCCN2CCN(Cc3cc4ccccc4[nH]3)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25BrN4/c22-18-5-7-19(8-6-18)23-9-10-25-11-13-26(14-12-25)16-20-15-17-3-1-2-4-21(17)24-20/h1-8,15,23-24H,9-14,16H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
CCHNZOHVOULQIT-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