General Information of the Compound
| Compound ID |
CP0416586
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl] prop-2-enoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H15ClFN3O3
|
||||||||||||||||||
| Molecular Weight |
387.798
|
||||||||||||||||||
| Canonical SMILES |
CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC(=O)C=C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H15ClFN3O3/c1-3-18(25)27-17-8-12-15(9-16(17)26-4-2)22-10-23-19(12)24-11-5-6-14(21)13(20)7-11/h3,5-10H,1,4H2,2H3,(H,22,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FRCIXKRNJOZCOB-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