General Information of the Compound
| Compound ID |
CP0407660
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(4-fluorophenyl)-N-[4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]butyl]thiophene-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H32FN3O2S
|
||||||||||||||||||
| Molecular Weight |
481.637
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(s2)-c2ccc(F)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H32FN3O2S/c1-33-24-8-3-2-7-23(24)31-18-6-17-30(19-20-31)16-5-4-15-29-27(32)26-14-13-25(34-26)21-9-11-22(28)12-10-21/h2-3,7-14H,4-6,15-20H2,1H3,(H,29,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MGDBVKSSHFDIJD-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