General Information of the Compound
| Compound ID |
CP0374477
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]pyrido[3,4-d]pyrimidin-6-yl]-4-pyrrolidin-1-ylbut-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H26ClFN6O2
|
||||||||||||||||||
| Molecular Weight |
533.007
|
||||||||||||||||||
| Canonical SMILES |
Fc1cccc(COc2ccc(Nc3ncnc4cnc(NC(=O)\C=C\CN5CCCC5)cc34)cc2Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H26ClFN6O2/c29-23-14-21(8-9-25(23)38-17-19-5-3-6-20(30)13-19)34-28-22-15-26(31-16-24(22)32-18-33-28)35-27(37)7-4-12-36-10-1-2-11-36/h3-9,13-16,18H,1-2,10-12,17H2,(H,31,35,37)(H,32,33,34)/b7-4+
Show/Hide
|
||||||||||||||||||
| InChIKey |
PWLHYVUELGJGPD-QPJJXVBHSA-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
Protein ID: PT01159, Receptor tyrosine-protein kinase erbB-4
Protein ID: PT00892, Tyrosine-protein kinase JAK3