General Information of the Compound
| Compound ID |
CP0380018
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-4-(4-methylpiperazin-1-yl)-N-[4-[4-(pyridin-2-ylmethyl)anilino]pyrido[3,4-d]pyrimidin-6-yl]but-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H30N8O
|
||||||||||||||||||
| Molecular Weight |
494.603
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(C\C=C\C(=O)Nc2cc3c(Nc4ccc(Cc5ccccn5)cc4)ncnc3cn2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H30N8O/c1-35-13-15-36(16-14-35)12-4-6-27(37)34-26-18-24-25(19-30-26)31-20-32-28(24)33-22-9-7-21(8-10-22)17-23-5-2-3-11-29-23/h2-11,18-20H,12-17H2,1H3,(H,30,34,37)(H,31,32,33)/b6-4+
Show/Hide
|
||||||||||||||||||
| InChIKey |
NBXCNCMWLZADMG-GQCTYLIASA-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