General Information of the Compound
| Compound ID |
CP0475072
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[5-chloro-2-[4-[4-(methanesulfonamido)phenoxy]anilino]pyrimidin-4-yl]amino]-N-methylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H23ClN6O4S
|
||||||||||||||||||
| Molecular Weight |
539.017
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc2)ncc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H23ClN6O4S/c1-27-24(33)20-5-3-4-6-22(20)30-23-21(26)15-28-25(31-23)29-16-7-11-18(12-8-16)36-19-13-9-17(10-14-19)32-37(2,34)35/h3-15,32H,1-2H3,(H,27,33)(H2,28,29,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JHKVDGXPDCWFPR-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