General Information of the Compound
| Compound ID |
CP0921606
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-1,3-benzothiazol-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H28N4O2S
|
||||||||||||||||||
| Molecular Weight |
412.559
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1N1CCN(CCCCOc2ccc3sc(N)nc3c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H28N4O2S/c1-27-20-7-3-2-6-19(20)26-13-11-25(12-14-26)10-4-5-15-28-17-8-9-21-18(16-17)24-22(23)29-21/h2-3,6-9,16H,4-5,10-15H2,1H3,(H2,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CTTVMGVVWWHIMC-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