General Information of the Compound
| Compound ID |
CP0412685
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]-4-(1H-triazol-4-yl)pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H13FN6
|
||||||||||||||||||
| Molecular Weight |
320.331
|
||||||||||||||||||
| Canonical SMILES |
Cn1cnc(c1-c1ccc(F)cc1)-c1cc(ccn1)-c1c[nH]nn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H13FN6/c1-24-10-20-16(17(24)11-2-4-13(18)5-3-11)14-8-12(6-7-19-14)15-9-21-23-22-15/h2-10H,1H3,(H,21,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OOQGFOQFUXTMFJ-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: PT02548, Histone lysine demethylase PHF8
Protein ID: PT03776, Lysine-specific demethylase 2B