General Information of the Compound
| Compound ID |
CP0511133
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-[4-[4-(2-methoxyanilino)piperidin-1-yl]butyl]-3-phenylprop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H33N3O2
|
||||||||||||||||||
| Molecular Weight |
407.558
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1NC1CCN(CCCCNC(=O)\C=C\c2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H33N3O2/c1-30-24-12-6-5-11-23(24)27-22-15-19-28(20-16-22)18-8-7-17-26-25(29)14-13-21-9-3-2-4-10-21/h2-6,9-14,22,27H,7-8,15-20H2,1H3,(H,26,29)/b14-13+
Show/Hide
|
||||||||||||||||||
| InChIKey |
JAWKNWQXUPQJQD-BUHFOSPRSA-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