General Information of the Compound
| Compound ID |
CP0230312
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[(5-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-phenylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H35N3O
|
||||||||||||||||||
| Molecular Weight |
465.641
|
||||||||||||||||||
| Canonical SMILES |
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCc2c(C1)cccc2C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H35N3O/c1-2-20-34(29-17-18-30-27(22-29)11-8-12-28(30)23-32)21-7-6-19-33-31(35)26-15-13-25(14-16-26)24-9-4-3-5-10-24/h3-5,8-16,29H,2,6-7,17-22H2,1H3,(H,33,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZQAMNGCYKZHATK-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