General Information of the Compound
| Compound ID |
CP0918373
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
rac-N6-(2-(4-(3'-Methoxybiphenyl-4-yl)piperazin-1-yl)ethyl)-N6-propyl-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H39N5OS
|
||||||||||||||||||
| Molecular Weight |
505.732
|
||||||||||||||||||
| Canonical SMILES |
CCCN(CCN1CCN(c2ccc(-c3cccc(OC)c3)cc2)CC1)C1CCc2nc(N)sc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H39N5OS/c1-3-13-33(25-11-12-27-28(21-25)36-29(30)31-27)17-14-32-15-18-34(19-16-32)24-9-7-22(8-10-24)23-5-4-6-26(20-23)35-2/h4-10,20,25H,3,11-19,21H2,1-2H3,(H2,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DUVNCSZVWYCEFO-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: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor