General Information of the Compound
| Compound ID |
CP0430235
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL165440
Show/Hide
|
||||||||||||||||||
| Formula |
C21H28N4
|
||||||||||||||||||
| Molecular Weight |
336.483
|
||||||||||||||||||
| Canonical SMILES |
C(CN1CCc2ccccc2C1)[C@H]1CC[C@@H](CC1)Nc1ncccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H28N4/c1-2-5-19-16-25(15-11-18(19)4-1)14-10-17-6-8-20(9-7-17)24-21-22-12-3-13-23-21/h1-5,12-13,17,20H,6-11,14-16H2,(H,22,23,24)/t17-,20-
Show/Hide
|
||||||||||||||||||
| InChIKey |
BEKYXSCBRPYPCE-IRJFHVNHSA-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