General Information of the Compound
| Compound ID |
CP0416901
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(3,5-difluorophenyl)-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22F2N2O
|
||||||||||||||||||
| Molecular Weight |
356.416
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(F)cc(c1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22F2N2O/c22-18-12-17(13-19(23)14-18)15-3-4-20-16(11-15)5-8-25(21(20)26)10-9-24-6-1-2-7-24/h3-4,11-14H,1-2,5-10H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
VYWPYDHJBNEPBP-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: PT01194, Histamine H3 receptor
Protein ID: PT01173, Histamine H3 receptor