General Information of the Compound
| Compound ID |
CP0468346
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-[4-(3-bromoanilino)quinazolin-6-yl]-3-(2-bromophenyl)prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H16Br2N4O
|
||||||||||||||||||
| Molecular Weight |
524.216
|
||||||||||||||||||
| Canonical SMILES |
Brc1cccc(Nc2ncnc3ccc(NC(=O)\C=C\c4ccccc4Br)cc23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H16Br2N4O/c24-16-5-3-6-17(12-16)29-23-19-13-18(9-10-21(19)26-14-27-23)28-22(30)11-8-15-4-1-2-7-20(15)25/h1-14H,(H,28,30)(H,26,27,29)/b11-8+
Show/Hide
|
||||||||||||||||||
| InChIKey |
RCKUPYHQCFJMHW-DHZHZOJOSA-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