General Information of the Compound
| Compound ID |
CP0527508
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1-cyclopentyl-pyrrolidin-3-yl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25BrN2O2
|
||||||||||||||||||
| Molecular Weight |
417.347
|
||||||||||||||||||
| Canonical SMILES |
COc1c(cc(Br)c2ccccc12)C(=O)N[C@H]1CCN(C1)C1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25BrN2O2/c1-26-20-17-9-5-4-8-16(17)19(22)12-18(20)21(25)23-14-10-11-24(13-14)15-6-2-3-7-15/h4-5,8-9,12,14-15H,2-3,6-7,10-11,13H2,1H3,(H,23,25)/t14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JBWREVQKLWMQCO-AWEZNQCLSA-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