General Information of the Compound
| Compound ID |
CP0454989
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[4-(N-benzylanilino)piperidin-1-yl]butyl]-1-benzothiophene-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H35N3OS
|
||||||||||||||||||
| Molecular Weight |
497.708
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCCCCN1CCC(CC1)N(Cc1ccccc1)c1ccccc1)c1cc2ccccc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H35N3OS/c35-31(30-23-26-13-7-8-16-29(26)36-30)32-19-9-10-20-33-21-17-28(18-22-33)34(27-14-5-2-6-15-27)24-25-11-3-1-4-12-25/h1-8,11-16,23,28H,9-10,17-22,24H2,(H,32,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YWGRHHHDROUELZ-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