General Information of the Compound
| Compound ID |
CP0547354
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[5-[[4-chloro-2-[2-(4- fluorophenyl)ethyl]phenyl] methoxy]pyrazol-1-yl]pyridine- 4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H19ClFN3O3
|
||||||||||||||||||
| Molecular Weight |
451.885
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(Cl)cc1CCc1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H19ClFN3O3/c25-20-6-5-19(17(13-20)4-1-16-2-7-21(26)8-3-16)15-32-23-10-12-28-29(23)22-14-18(24(30)31)9-11-27-22/h2-3,5-14H,1,4,15H2,(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KBYPMYYZRUNPRA-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: PT02979, Lysine-specific demethylase 4C
Protein ID: PT02613, Lysine-specific demethylase 5A
Protein ID: PT03382, Lysine-specific demethylase 5B