General Information of the Compound
| Compound ID |
CP0471680
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10562853, Compound 1
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23ClF2N2O2
|
||||||||||||||||||
| Molecular Weight |
408.876
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23ClF2N2O2/c22-18-14-16(6-7-19(18)23)20(27)26-11-8-21(24,9-12-26)15-25-10-13-28-17-4-2-1-3-5-17/h1-7,14,25H,8-13,15H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
DXWRIDGYFFSIIY-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: PT00819, 5-hydroxytryptamine receptor 1A
Cell-based Assay
Protein ID: PT01005, D(2) dopamine receptor