General Information of the Compound
| Compound ID |
CP0400383
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-methoxyphenyl)-4-[4-(1-naphthalen-2-yltriazol-4-yl)butyl]piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H31N5O
|
||||||||||||||||||
| Molecular Weight |
441.579
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2ccc3ccccc3c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H31N5O/c1-33-27-12-5-4-11-26(27)31-18-16-30(17-19-31)15-7-6-10-24-21-32(29-28-24)25-14-13-22-8-2-3-9-23(22)20-25/h2-5,8-9,11-14,20-21H,6-7,10,15-19H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JNNUNYQLZKWFQJ-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