General Information of the Compound
| Compound ID |
CP0872754
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-1-(2-(2-((4'-fluoro-2'-methoxybiphenyl-2-yl)methylene)hydrazinyl)ethyl)piperidine-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H26FN3O3
|
||||||||||||||||||
| Molecular Weight |
399.466
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(F)ccc1-c1ccccc1/C=N/NCCN1CCCC(C(=O)O)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26FN3O3/c1-29-21-13-18(23)8-9-20(21)19-7-3-2-5-16(19)14-25-24-10-12-26-11-4-6-17(15-26)22(27)28/h2-3,5,7-9,13-14,17,24H,4,6,10-12,15H2,1H3,(H,27,28)/b25-14+
Show/Hide
|
||||||||||||||||||
| InChIKey |
KPOKBMCIFRIDRL-AFUMVMLFSA-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