General Information of the Compound
| Compound ID |
CP0472164
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-Chloro-4-(cyclopropanecarbonyl-amino)-2-methoxy-N-((S)-1-phenethyl-pyrrolidin-3-yl)-benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28ClN3O3
|
||||||||||||||||||
| Molecular Weight |
441.959
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(CCc2ccccc2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28ClN3O3/c1-31-22-14-21(27-23(29)17-7-8-17)20(25)13-19(22)24(30)26-18-10-12-28(15-18)11-9-16-5-3-2-4-6-16/h2-6,13-14,17-18H,7-12,15H2,1H3,(H,26,30)(H,27,29)/t18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UIDILJWJRJJVSD-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
Protein ID: PT01161, D(4) dopamine receptor