General Information of the Compound
| Compound ID |
CP0543580
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[5-chloro-2-[[3-(4-hydroxypiperidine-1-carbonyl)-2-methyl-1H-indol-6-yl]amino]pyrimidin-4-yl]amino]-N-methylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H28ClN7O3
|
||||||||||||||||||
| Molecular Weight |
534.02
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(C(=O)N4CCC(O)CC4)c(C)[nH]c3c2)ncc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H28ClN7O3/c1-15-23(26(38)35-11-9-17(36)10-12-35)18-8-7-16(13-22(18)31-15)32-27-30-14-20(28)24(34-27)33-21-6-4-3-5-19(21)25(37)29-2/h3-8,13-14,17,31,36H,9-12H2,1-2H3,(H,29,37)(H2,30,32,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NRESBMASWDVINZ-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 | |||||||||||||||||||
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: PT00922, Epidermal growth factor receptor