General Information of the Compound
| Compound ID |
CP0456370
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-methyl-7-(5-methylsulfonylpyridin-3-yl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H16N4O2S
|
||||||||||||||||||
| Molecular Weight |
340.408
|
||||||||||||||||||
| Canonical SMILES |
Cc1nnc2CCc3cc(ccc3-n12)-c1cncc(c1)S(C)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H16N4O2S/c1-11-19-20-17-6-4-13-7-12(3-5-16(13)21(11)17)14-8-15(10-18-9-14)24(2,22)23/h3,5,7-10H,4,6H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XUBBLADRWSJVEG-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