General Information of the Compound
| Compound ID |
CP0387459
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-methyl-2-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]benzimidazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H20F3N5
|
||||||||||||||||||
| Molecular Weight |
375.398
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(CN2CCN(CC2)c2ccc(cn2)C(F)(F)F)nc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H20F3N5/c1-25-16-5-3-2-4-15(16)24-18(25)13-26-8-10-27(11-9-26)17-7-6-14(12-23-17)19(20,21)22/h2-7,12H,8-11,13H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OBGKLELCXBROAY-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
Protein ID: PT01748, Metabotropic glutamate receptor 2