General Information of the Compound
| Compound ID |
CP0450672
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-{1-[2-(2,4-difluorophenyl)ethyl]-1H-imidazol-4- yl}-4-[5-(trifluoromethyl)-1H-1,2,3-triazol-4- yl]pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H13F5N6
|
||||||||||||||||||
| Molecular Weight |
420.345
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(CCn2cnc(c2)-c2cc(ccn2)-c2nn[nH]c2C(F)(F)F)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H13F5N6/c20-13-2-1-11(14(21)8-13)4-6-30-9-16(26-10-30)15-7-12(3-5-25-15)17-18(19(22,23)24)28-29-27-17/h1-3,5,7-10H,4,6H2,(H,27,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BIIHYOYHDJBOEE-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: PT03776, Lysine-specific demethylase 2B
Protein ID: PT02979, Lysine-specific demethylase 4C
Protein ID: PT03382, Lysine-specific demethylase 5B
Protein ID: PT03383, Lysine-specific demethylase 6B