General Information of the Compound
| Compound ID |
CP0905681
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-(5-Chloro-2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino)pyrimidin-4-yloxy)phenyl)-3-benzyloxypropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H35ClN6O4
|
||||||||||||||||||
| Molecular Weight |
603.123
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Oc2ccccc2NC(=O)CCOCc2ccccc2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H35ClN6O4/c1-38-15-17-39(18-16-38)24-12-13-27(29(20-24)41-2)36-32-34-21-25(33)31(37-32)43-28-11-7-6-10-26(28)35-30(40)14-19-42-22-23-8-4-3-5-9-23/h3-13,20-21H,14-19,22H2,1-2H3,(H,35,40)(H,34,36,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZSDTULCLIFGBRY-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: PT00922, Epidermal growth factor receptor
Protein ID: PT03338, Tyrosine-protein kinase ABL1