General Information of the Compound
| Compound ID |
CP0556329
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-methyl-4-[3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H20N6O
|
||||||||||||||||||
| Molecular Weight |
408.465
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)c1ccc(cc1)-c1ccc2nnc([C@@H](C)c3ccc4ncccc4c3)n2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H20N6O/c1-15(18-9-10-20-19(14-18)4-3-13-26-20)23-28-27-22-12-11-21(29-30(22)23)16-5-7-17(8-6-16)24(31)25-2/h3-15H,1-2H3,(H,25,31)/t15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OTYPIGVXUNSUDI-HNNXBMFYSA-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