General Information of the Compound
| Compound ID |
CP0058678
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(1,3-difluoropropan-2-yloxy)-5-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]cyclohexa-2,5-diene-1,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21F2N3O6
|
||||||||||||||||||
| Molecular Weight |
449.41
|
||||||||||||||||||
| Canonical SMILES |
COCCOc1cc2ncnc(NC3=CC(=O)C(OC(CF)CF)=CC3=O)c2cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21F2N3O6/c1-29-3-4-31-20-7-14-13(5-19(20)30-2)21(25-11-24-14)26-15-6-17(28)18(8-16(15)27)32-12(9-22)10-23/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,24,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CTIUEAVLGKLBEJ-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