General Information of the Compound
| Compound ID |
CP0033751
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H14F3N3O2
|
||||||||||||||||||
| Molecular Weight |
349.312
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2ncnc(Nc3cccc(c3)C(F)(F)F)c2cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H14F3N3O2/c1-24-14-7-12-13(8-15(14)25-2)21-9-22-16(12)23-11-5-3-4-10(6-11)17(18,19)20/h3-9H,1-2H3,(H,21,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KEQCEKUDWPXRRQ-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
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Protein ID: PT00922, Epidermal growth factor receptor