General Information of the Compound
| Compound ID |
CP0380378
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-[4-(3-chloroanilino)quinazolin-6-yl]-3-(2-chloropyridin-3-yl)prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H15Cl2N5O
|
||||||||||||||||||
| Molecular Weight |
436.302
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(Nc2ncnc3ccc(NC(=O)\C=C\c4cccnc4Cl)cc23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H15Cl2N5O/c23-15-4-1-5-16(11-15)29-22-18-12-17(7-8-19(18)26-13-27-22)28-20(30)9-6-14-3-2-10-25-21(14)24/h1-13H,(H,28,30)(H,26,27,29)/b9-6+
Show/Hide
|
||||||||||||||||||
| InChIKey |
MCPVFNLYVRRHKL-RMKNXTFCSA-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