General Information of the Compound
| Compound ID |
CP0111165
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(4-chlorophenyl)-N-methyl-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22ClN3O2
|
||||||||||||||||||
| Molecular Weight |
395.89
|
||||||||||||||||||
| Canonical SMILES |
CN(C(=O)c1ccc(o1)-c1ccc(Cl)cc1)c1ccc(cc1)N1CCNCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22ClN3O2/c1-25(18-6-8-19(9-7-18)26-14-12-24-13-15-26)22(27)21-11-10-20(28-21)16-2-4-17(23)5-3-16/h2-11,24H,12-15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VVLMVMQNQKVXTF-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
Protein ID: PT01231, MAP kinase-activated protein kinase 2
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000229 | SW1353 | Homo sapiens (Human) | 1 |
| 1 |
CC50 > 20000 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|