General Information of the Compound
| Compound ID |
CP0870163
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-(1-(4-chloro-3-fluorophenyl)ethyl)-2-(8-methyl-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl)acetamide
Show/Hide
|
||||||||||||||||||
| Formula |
C16H15ClFN5O2
|
||||||||||||||||||
| Molecular Weight |
363.78
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccnn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(Cl)c(F)c3)nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H15ClFN5O2/c1-9-5-6-19-23-15(9)21-22(16(23)25)8-14(24)20-10(2)11-3-4-12(17)13(18)7-11/h3-7,10H,8H2,1-2H3,(H,20,24)/t10-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OYHGYJWJHAGOFT-JTQLQIEISA-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 | |||||||||||||||||||
| 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