General Information of the Compound
| Compound ID |
CP0127236
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[6-[[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H26FN7O2
|
||||||||||||||||||
| Molecular Weight |
415.473
|
||||||||||||||||||
| Canonical SMILES |
CO[C@H]1CCN(C[C@H]1F)c1nccc(Nc2cc3n(C(C)C)c(CO)nc3cn2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H26FN7O2/c1-12(2)28-15-8-18(23-9-14(15)24-19(28)11-29)25-17-4-6-22-20(26-17)27-7-5-16(30-3)13(21)10-27/h4,6,8-9,12-13,16,29H,5,7,10-11H2,1-3H3,(H,22,23,25,26)/t13-,16+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BJQBLOLTVCVLLZ-CJNGLKHVSA-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: PT00922, Epidermal growth factor receptor
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000157 | NCI-H1975 | Homo sapiens (Human) | 1 |
| 1 |
EC50 = 880 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|