General Information of the Compound
| Compound ID |
CP0389513
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-(4-methyltriazol-1-yl)butyl]-N-propyl-4-prop-1-ynylcyclohex-3-en-1-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H30N4
|
||||||||||||||||||
| Molecular Weight |
314.477
|
||||||||||||||||||
| Canonical SMILES |
CCCN(CCCCn1cc(C)nn1)C1CCC(=CC1)C#CC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H30N4/c1-4-8-18-9-11-19(12-10-18)22(13-5-2)14-6-7-15-23-16-17(3)20-21-23/h9,16,19H,5-7,10-15H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CDKQNHRWVCQEIG-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