General Information of the Compound
| Compound ID |
CP0426892
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[4-(N-benzylanilino)piperidin-1-yl]butyl]isoindole-1,3-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H33N3O2
|
||||||||||||||||||
| Molecular Weight |
467.613
|
||||||||||||||||||
| Canonical SMILES |
O=C1N(CCCCN2CCC(CC2)N(Cc2ccccc2)c2ccccc2)C(=O)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H33N3O2/c34-29-27-15-7-8-16-28(27)30(35)32(29)20-10-9-19-31-21-17-26(18-22-31)33(25-13-5-2-6-14-25)23-24-11-3-1-4-12-24/h1-8,11-16,26H,9-10,17-23H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
GKIMLDRVPMXRGW-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