General Information of the Compound
| Compound ID |
CP0191798
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-{[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridazin-3-yl]methoxy}-7-methoxyquinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H15F2N5O2
|
||||||||||||||||||
| Molecular Weight |
419.391
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2c(OCc3nnc4ccc(nn34)-c3ccc(F)c(F)c3)ccnc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H15F2N5O2/c1-30-14-3-4-15-19(11-14)25-9-8-20(15)31-12-22-27-26-21-7-6-18(28-29(21)22)13-2-5-16(23)17(24)10-13/h2-11H,12H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OFEDZXBACHVRIF-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