General Information of the Compound
| Compound ID |
CP0503054
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(3-Trifluoromethyl-pyridin-2-yl)-piperazine-1-carboxylic acid (4-butyl-phenyl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25F3N4O
|
||||||||||||||||||
| Molecular Weight |
406.452
|
||||||||||||||||||
| Canonical SMILES |
CCCCc1ccc(NC(=O)N2CCN(CC2)c2ncccc2C(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25F3N4O/c1-2-3-5-16-7-9-17(10-8-16)26-20(29)28-14-12-27(13-15-28)19-18(21(22,23)24)6-4-11-25-19/h4,6-11H,2-3,5,12-15H2,1H3,(H,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GNOVHIQQWMFXBG-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