General Information of the Compound
| Compound ID |
CP0477137
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[1-[2-(5-fluoro-2,3- dihydroindol-1-yl)ethyl]imidazol- 4-yl]pyridine-4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H17FN4O2
|
||||||||||||||||||
| Molecular Weight |
352.369
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccnc(c1)-c1cn(CCN2CCc3cc(F)ccc23)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H17FN4O2/c20-15-1-2-18-13(9-15)4-6-24(18)8-7-23-11-17(22-12-23)16-10-14(19(25)26)3-5-21-16/h1-3,5,9-12H,4,6-8H2,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VBYNYZPZKXJUEM-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: PT02613, Lysine-specific demethylase 5A
Protein ID: PT03382, Lysine-specific demethylase 5B