General Information of the Compound
| Compound ID |
CP0422364
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-{2-[4-(4-Chloro-phenyl)-piperazin-1-yl]-ethyl}-2-methyl-2,3-dihydro-isoindol-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H24ClN3O
|
||||||||||||||||||
| Molecular Weight |
369.896
|
||||||||||||||||||
| Canonical SMILES |
CN1C(CCN2CCN(CC2)c2ccc(Cl)cc2)c2ccccc2C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H24ClN3O/c1-23-20(18-4-2-3-5-19(18)21(23)26)10-11-24-12-14-25(15-13-24)17-8-6-16(22)7-9-17/h2-9,20H,10-15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XWNSNFBCWKDIED-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