General Information of the Compound
| Compound ID |
CP0461448
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1-cycloheptyl-pyrrolidin-2-ylmethyl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H31BrN2O2
|
||||||||||||||||||
| Molecular Weight |
459.428
|
||||||||||||||||||
| Canonical SMILES |
COc1c(cc(Br)c2ccccc12)C(=O)NC[C@@H]1CCCN1C1CCCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H31BrN2O2/c1-29-23-20-13-7-6-12-19(20)22(25)15-21(23)24(28)26-16-18-11-8-14-27(18)17-9-4-2-3-5-10-17/h6-7,12-13,15,17-18H,2-5,8-11,14,16H2,1H3,(H,26,28)/t18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BOSOVNGIOQDIAC-SFHVURJKSA-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: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor