General Information of the Compound
| Compound ID |
CP0195203
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-chloro-2-N-(2-piperidin-4-yl-4-propan-2-yloxypyrimidin-5-yl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H32ClN7O3S
|
||||||||||||||||||
| Molecular Weight |
546.097
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1nc(ncc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1CCNCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H32ClN7O3S/c1-15(2)36-24-20(14-28-22(32-24)17-9-11-27-12-10-17)31-25-29-13-18(26)23(33-25)30-19-7-5-6-8-21(19)37(34,35)16(3)4/h5-8,13-17,27H,9-12H2,1-4H3,(H2,29,30,31,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UAVBPSVJXCTZOC-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: PT01203, ALK tyrosine kinase receptor
Protein ID: PT01101, Insulin receptor