General Information of the Compound
| Compound ID |
CP0426048
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-(4-(3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl)piperazin-1-yl)phenoxy)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22ClN5O3
|
||||||||||||||||||
| Molecular Weight |
439.903
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)COc1ccccc1N1CCN(CC1)C(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22ClN5O3/c23-16-7-5-15(6-8-16)17-13-18(26-25-17)22(30)28-11-9-27(10-12-28)19-3-1-2-4-20(19)31-14-21(24)29/h1-8,13H,9-12,14H2,(H2,24,29)(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XRKQSXRRQJSZEC-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