General Information of the Compound
| Compound ID |
CP0776051
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-Fluoro-1-(fluoromethyl)ethoxy]-5-({6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl}amino)benzo-1,4-quinone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28F2N4O5
|
||||||||||||||||||
| Molecular Weight |
502.518
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2c(NC3=CC(=O)C(OC(CF)CF)=CC3=O)ncnc2cc1OCC1CCN(C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28F2N4O5/c1-31-5-3-15(4-6-31)13-35-24-9-18-17(7-23(24)34-2)25(29-14-28-18)30-19-8-21(33)22(10-20(19)32)36-16(11-26)12-27/h7-10,14-16H,3-6,11-13H2,1-2H3,(H,28,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FTDHOACXVYZSHC-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