General Information of the Compound
| Compound ID |
CP0397770
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]butyl]-4-(methylamino)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H34N4O2
|
||||||||||||||||||
| Molecular Weight |
410.562
|
||||||||||||||||||
| Canonical SMILES |
CNc1ccc(cc1)C(=O)NCCCCN1CCCN(CC1)c1ccccc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H34N4O2/c1-25-21-12-10-20(11-13-21)24(29)26-14-5-6-15-27-16-7-17-28(19-18-27)22-8-3-4-9-23(22)30-2/h3-4,8-13,25H,5-7,14-19H2,1-2H3,(H,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RMHPZAHOFLURDU-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
Protein ID: PT01161, D(4) dopamine receptor