General Information of the Compound
| Compound ID |
CP0868395
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-(8-(oxetan-3-ylamino)-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl)-N-(1-(4-(trifluoromethoxy)phenyl)ethyl)acetamide
Show/Hide
|
||||||||||||||||||
| Formula |
C19H19F3N6O4
|
||||||||||||||||||
| Molecular Weight |
452.393
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](NC(=O)Cn1nc2c(NC3COC3)ccnn2c1=O)c1ccc(OC(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19F3N6O4/c1-11(12-2-4-14(5-3-12)32-19(20,21)22)24-16(29)8-27-18(30)28-17(26-27)15(6-7-23-28)25-13-9-31-10-13/h2-7,11,13,25H,8-10H2,1H3,(H,24,29)/t11-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UVSSOTFKVNLUPX-NSHDSACASA-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