General Information of the Compound
| Compound ID |
CP0452398
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-[4-(3-bromoanilino)quinazolin-6-yl]-3-(2-methoxyphenyl)prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H19BrN4O2
|
||||||||||||||||||
| Molecular Weight |
475.346
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H19BrN4O2/c1-31-22-8-3-2-5-16(22)9-12-23(30)28-19-10-11-21-20(14-19)24(27-15-26-21)29-18-7-4-6-17(25)13-18/h2-15H,1H3,(H,28,30)(H,26,27,29)/b12-9+
Show/Hide
|
||||||||||||||||||
| InChIKey |
KDDYLGLHDRAPQM-FMIVXFBMSA-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