General Information of the Compound
| Compound ID |
CP0233346
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-8-fluoro-N-[(4-methoxyquinolin-8-yl)methyl]quinazoline-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H16FN5O2
|
||||||||||||||||||
| Molecular Weight |
377.379
|
||||||||||||||||||
| Canonical SMILES |
COc1ccnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H16FN5O2/c1-28-15-8-9-23-16-11(4-2-5-12(15)16)10-24-19(27)18-13-6-3-7-14(21)17(13)25-20(22)26-18/h2-9H,10H2,1H3,(H,24,27)(H2,22,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VJONUBCNSKUVKZ-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: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a