General Information of the Compound
| Compound ID |
CP0404687
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(6,7-dimethoxyquinazolin-4-yl)amino]-5-fluoro-2-methylphenol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H16FN3O3
|
||||||||||||||||||
| Molecular Weight |
329.331
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2ncnc(Nc3cc(F)cc(O)c3C)c2cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H16FN3O3/c1-9-12(4-10(18)5-14(9)22)21-17-11-6-15(23-2)16(24-3)7-13(11)19-8-20-17/h4-8,22H,1-3H3,(H,19,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SILQLNZGVCITBV-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