General Information of the Compound
| Compound ID |
CP0475073
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[5-chloro-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]pyrimidin-4-yl]amino]-N-methylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H20ClFN6O3S
|
||||||||||||||||||
| Molecular Weight |
526.981
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)ncc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H20ClFN6O3S/c1-27-23(33)19-4-2-3-5-21(19)30-22-20(25)14-28-24(31-22)29-16-8-10-17(11-9-16)32-36(34,35)18-12-6-15(26)7-13-18/h2-14,32H,1H3,(H,27,33)(H2,28,29,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QXIRVJFUKJZTII-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