General Information of the Compound
| Compound ID |
CP0101090
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H14N6
|
||||||||||||||||||
| Molecular Weight |
362.396
|
||||||||||||||||||
| Canonical SMILES |
N#Cc1cccc(c1)-c1ccc2nnc(Cc3ccc4ncccc4c3)n2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H14N6/c23-14-16-3-1-4-18(12-16)20-8-9-21-25-26-22(28(21)27-20)13-15-6-7-19-17(11-15)5-2-10-24-19/h1-12H,13H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
AWPGEMDEIDCXMW-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