General Information of the Compound
| Compound ID |
CP0487746
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-fluoro-7-(5-fluoro-4-methylpyridin-3-yl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H12F2N4
|
||||||||||||||||||
| Molecular Weight |
298.296
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(F)cncc1-c1cc(F)c-2c(CCc3nncn-23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H12F2N4/c1-9-12(6-19-7-14(9)18)11-4-10-2-3-15-21-20-8-22(15)16(10)13(17)5-11/h4-8H,2-3H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YJFBVPNZYHPDTB-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: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial