General Information of the Compound
| Compound ID |
CP0347434
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[3-(trifluoromethyl)anilino]quinazolin-6-yl]prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H13F3N4O
|
||||||||||||||||||
| Molecular Weight |
358.323
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H13F3N4O/c1-2-16(26)24-13-6-7-15-14(9-13)17(23-10-22-15)25-12-5-3-4-11(8-12)18(19,20)21/h2-10H,1H2,(H,24,26)(H,22,23,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LSYGGBSRDNYACG-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