General Information of the Compound
| Compound ID |
CP0878622
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-Benzhydryl-4-{4-[3-(3,4-dimethoxy-phenyl)-isoxazol-5-yl]-butyl}-piperazine hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H38ClN3O3
|
||||||||||||||||||
| Molecular Weight |
548.127
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(-c2cc(CCCCN3CCN(C(c4ccccc4)c4ccccc4)CC3)on2)cc1OC.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H37N3O3.ClH/c1-36-30-17-16-27(23-31(30)37-2)29-24-28(38-33-29)15-9-10-18-34-19-21-35(22-20-34)32(25-11-5-3-6-12-25)26-13-7-4-8-14-26;/h3-8,11-14,16-17,23-24,32H,9-10,15,18-22H2,1-2H3;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
NOSFXMMQATWKEF-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