General Information of the Compound
| Compound ID |
CP0478911
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[4-[3-chloro-4-[3-(trifluoromethyl)phenoxy]anilino]thieno[2,3-d]pyrimidin-6-yl]phenyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H18ClF3N4O2S
|
||||||||||||||||||
| Molecular Weight |
554.981
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)Nc1ccc(cc1)-c1cc2c(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)ncnc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H18ClF3N4O2S/c1-15(36)34-18-7-5-16(6-8-18)24-13-21-25(32-14-33-26(21)38-24)35-19-9-10-23(22(28)12-19)37-20-4-2-3-17(11-20)27(29,30)31/h2-14H,1H3,(H,34,36)(H,32,33,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZTYNNPMPRUWCIF-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: PT01233, Receptor tyrosine-protein kinase erbB-2
Cell Viability or Cytotoxicity Assay