General Information of the Compound
| Compound ID |
CP0396653
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]butyl]-4-methylsulfanylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H33N3O2S
|
||||||||||||||||||
| Molecular Weight |
427.614
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(SC)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H33N3O2S/c1-29-23-9-4-3-8-22(23)27-17-7-16-26(18-19-27)15-6-5-14-25-24(28)20-10-12-21(30-2)13-11-20/h3-4,8-13H,5-7,14-19H2,1-2H3,(H,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NJEUWDQVSSOGDD-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