General Information of the Compound
| Compound ID |
CP0157913
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[(1S)-1-[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]quinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H15F2N5
|
||||||||||||||||||
| Molecular Weight |
387.393
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](c1nnc2ccc(nn12)-c1ccc(F)c(F)c1)c1ccc2ncccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H15F2N5/c1-13(14-5-7-19-15(11-14)3-2-10-25-19)22-27-26-21-9-8-20(28-29(21)22)16-4-6-17(23)18(24)12-16/h2-13H,1H3/t13-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SQYNPZYBHGTSOY-ZDUSSCGKSA-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