General Information of the Compound
| Compound ID |
CP0404449
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-{2-[4-(4-Chloro-phenyl)-piperazin-1-yl]-ethyl}-1H-pyrrolo[2,3-b]pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H21ClN4
|
||||||||||||||||||
| Molecular Weight |
340.858
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1)N1CCN(CCc2cc3cccnc3[nH]2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H21ClN4/c20-16-3-5-18(6-4-16)24-12-10-23(11-13-24)9-7-17-14-15-2-1-8-21-19(15)22-17/h1-6,8,14H,7,9-13H2,(H,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QUCXOFSWCJSLHA-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