General Information of the Compound
| Compound ID |
CP0473361
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl] 2-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H20ClFN4O4S2
|
||||||||||||||||||
| Molecular Weight |
571.055
|
||||||||||||||||||
| Canonical SMILES |
CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC(=O)CSc1nc2cc(OC)ccc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H20ClFN4O4S2/c1-3-35-21-11-19-16(25(30-13-29-19)31-14-4-6-18(28)17(27)8-14)10-22(21)36-24(33)12-37-26-32-20-9-15(34-2)5-7-23(20)38-26/h4-11,13H,3,12H2,1-2H3,(H,29,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
USENYTRSBHMZMA-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