General Information of the Compound
| Compound ID |
CP0382809
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-(3-chloro-4-fluoroanilino)-7-[[1-(3-hydroxypropyl)triazol-4-yl]methoxy]quinazolin-6-yl]prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H21ClFN7O3
|
||||||||||||||||||
| Molecular Weight |
497.918
|
||||||||||||||||||
| Canonical SMILES |
OCCCn1cc(COc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2NC(=O)C=C)nn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21ClFN7O3/c1-2-22(34)29-20-9-16-19(10-21(20)35-12-15-11-32(31-30-15)6-3-7-33)26-13-27-23(16)28-14-4-5-18(25)17(24)8-14/h2,4-5,8-11,13,33H,1,3,6-7,12H2,(H,29,34)(H,26,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RFSXIPRAZZPVFM-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