General Information of the Compound
| Compound ID |
CP0432376
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methylpyrazol-3-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H26ClF3N4O2
|
||||||||||||||||||
| Molecular Weight |
530.978
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(NC(=O)C2CCN(CC(F)(F)F)CC2)nn1Cc1cc(Cl)cc2cc(oc12)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H26ClF3N4O2/c1-17-11-24(32-26(36)19-7-9-34(10-8-19)16-27(29,30)31)33-35(17)15-21-13-22(28)12-20-14-23(37-25(20)21)18-5-3-2-4-6-18/h2-6,11-14,19H,7-10,15-16H2,1H3,(H,32,33,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CGDHUGPBAFBGAA-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