General Information of the Compound
| Compound ID |
CP0376653
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(5-chloro-2-(2-methoxy-4-((1-methylpiperidin-3-yl)methoxy)phenylamino)pyrimidin-4-ylamino)-N-isopropylbenzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H35ClN6O4S
|
||||||||||||||||||
| Molecular Weight |
575.135
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OCC2CCCN(C)C2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)NC(C)C)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H35ClN6O4S/c1-18(2)33-39(35,36)25-10-6-5-9-23(25)30-26-21(28)15-29-27(32-26)31-22-12-11-20(14-24(22)37-4)38-17-19-8-7-13-34(3)16-19/h5-6,9-12,14-15,18-19,33H,7-8,13,16-17H2,1-4H3,(H2,29,30,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QGWMDCQQTSZJSY-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