General Information of the Compound
| Compound ID |
CP0957297
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
rac-4-(4-(2-((2-Amino-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)-(propyl)amino)ethyl)-piperazin-1-yl)-[1,1'-biphenyl]-3-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H37N5OS
|
||||||||||||||||||
| Molecular Weight |
491.705
|
||||||||||||||||||
| Canonical SMILES |
CCCN(CCN1CCN(c2ccc(-c3ccccc3)cc2O)CC1)C1CCc2nc(N)sc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H37N5OS/c1-2-12-32(23-9-10-24-27(20-23)35-28(29)30-24)16-13-31-14-17-33(18-15-31)25-11-8-22(19-26(25)34)21-6-4-3-5-7-21/h3-8,11,19,23,34H,2,9-10,12-18,20H2,1H3,(H2,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KVOQSAUGHJIHLQ-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