General Information of the Compound
| Compound ID |
CP0498327
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(3-Trifluoromethyl-pyridin-2-yl)-piperazine-1-carboxylic acid p-tolylamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H19F3N4O
|
||||||||||||||||||
| Molecular Weight |
364.371
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(NC(=O)N2CCN(CC2)c2ncccc2C(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H19F3N4O/c1-13-4-6-14(7-5-13)23-17(26)25-11-9-24(10-12-25)16-15(18(19,20)21)3-2-8-22-16/h2-8H,9-12H2,1H3,(H,23,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RUPSYJLMLWRWPS-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