General Information of the Compound
| Compound ID |
CP0190972
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-fluorobutyl]-4-pyridin-2-ylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H27Cl2FN4O
|
||||||||||||||||||
| Molecular Weight |
501.433
|
||||||||||||||||||
| Canonical SMILES |
FC(CCNC(=O)c1ccc(cc1)-c1ccccn1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H27Cl2FN4O/c27-22-4-3-6-24(25(22)28)33-16-14-32(15-17-33)18-21(29)11-13-31-26(34)20-9-7-19(8-10-20)23-5-1-2-12-30-23/h1-10,12,21H,11,13-18H2,(H,31,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DUYVMDDLFWXUHZ-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