General Information of the Compound
| Compound ID |
CP0568440
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4-piperidin-4-ylphenyl)-6-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]pyridine-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C26H22F3N5O2
|
||||||||||||||||||
| Molecular Weight |
493.489
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1cc(cc(n1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C1CCNCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H22F3N5O2/c27-26(28,29)21-7-5-19(6-8-21)23-15-34(33-32-23)24-14-20(13-22(31-24)25(35)36)17-3-1-16(2-4-17)18-9-11-30-12-10-18/h1-8,13-15,18,30H,9-12H2,(H,35,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UTTJFZWCVQKDDV-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 | |||||||||||||||||||
| 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