General Information of the Compound
| Compound ID |
CP0416591
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl] 2-pyridin-2-ylsulfanylacetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H18ClFN4O3S
|
||||||||||||||||||
| Molecular Weight |
484.94
|
||||||||||||||||||
| Canonical SMILES |
CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC(=O)CSc1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H18ClFN4O3S/c1-2-31-19-11-18-15(10-20(19)32-22(30)12-33-21-5-3-4-8-26-21)23(28-13-27-18)29-14-6-7-17(25)16(24)9-14/h3-11,13H,2,12H2,1H3,(H,27,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZMQPQWKIGYUXJH-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