General Information of the Compound
| Compound ID |
CP0478592
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-fluoro-7-(5-methoxypyridin-3-yl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H15FN4O
|
||||||||||||||||||
| Molecular Weight |
310.332
|
||||||||||||||||||
| Canonical SMILES |
COc1cncc(c1)-c1cc(F)c-2c(CCc3nnc(C)n-23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H15FN4O/c1-10-20-21-16-4-3-11-5-12(7-15(18)17(11)22(10)16)13-6-14(23-2)9-19-8-13/h5-9H,3-4H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JRPYWHICFPEOQX-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