General Information of the Compound
| Compound ID |
CP0498130
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-chloro-4-(cyclopentanecarbonylamino)-2-methoxybenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30ClN3O3
|
||||||||||||||||||
| Molecular Weight |
455.986
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(NC(=O)C2CCCC2)c(Cl)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30ClN3O3/c1-32-23-14-22(28-24(30)18-9-5-6-10-18)21(26)13-20(23)25(31)27-19-11-12-29(16-19)15-17-7-3-2-4-8-17/h2-4,7-8,13-14,18-19H,5-6,9-12,15-16H2,1H3,(H,27,31)(H,28,30)/t19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NEMKRNRSIHZCJI-LJQANCHMSA-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
Protein ID: PT01161, D(4) dopamine receptor