General Information of the Compound
| Compound ID |
CP0315053
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4-(4-methoxyphenyl)pyrimidin-2-ylamino)benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H16N4O3S
|
||||||||||||||||||
| Molecular Weight |
356.407
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H16N4O3S/c1-24-14-6-2-12(3-7-14)16-10-11-19-17(21-16)20-13-4-8-15(9-5-13)25(18,22)23/h2-11H,1H3,(H2,18,22,23)(H,19,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WMMHYPDJXGCLJQ-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: PT00877, Inhibitor of nuclear factor kappa-B kinase subunit beta
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000323 | LoVo | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 2550 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|