General Information of the Compound
| Compound ID |
CP0414614
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-fluoro-7-pyridin-3-yl-1-pyridin-4-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H14FN5
|
||||||||||||||||||
| Molecular Weight |
343.365
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc-2c(CCc3nnc(-c4ccncc4)n-23)cc1-c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H14FN5/c21-17-11-18-14(10-16(17)15-2-1-7-23-12-15)3-4-19-24-25-20(26(18)19)13-5-8-22-9-6-13/h1-2,5-12H,3-4H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
MDQJCNKGZCAMKN-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