General Information of the Compound
| Compound ID |
CP0503881
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[4-(N-acetyl-2-methoxyanilino)piperidin-1-yl]butyl]naphthalene-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H35N3O3
|
||||||||||||||||||
| Molecular Weight |
473.617
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1N(C1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1)C(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H35N3O3/c1-22(33)32(27-11-5-6-12-28(27)35-2)26-15-19-31(20-16-26)18-8-7-17-30-29(34)25-14-13-23-9-3-4-10-24(23)21-25/h3-6,9-14,21,26H,7-8,15-20H2,1-2H3,(H,30,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BWJWQRCGVCCLIP-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