General Information of the Compound
| Compound ID |
CP0455744
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[1-[2-[cyclopropyl-[(4- fluorophenyl)methyl]amino]ethyl] imidazol-4-yl]pyridine-4- carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21FN4O2
|
||||||||||||||||||
| Molecular Weight |
380.423
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccnc(c1)-c1cn(CCN(Cc2ccc(F)cc2)C2CC2)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21FN4O2/c22-17-3-1-15(2-4-17)12-26(18-5-6-18)10-9-25-13-20(24-14-25)19-11-16(21(27)28)7-8-23-19/h1-4,7-8,11,13-14,18H,5-6,9-10,12H2,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SGSDGKOZKXKUJL-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