General Information of the Compound
| Compound ID |
CP0556950
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(1S)-1-[3-(2-cyclopropylpyridin-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H17F3N6O2
|
||||||||||||||||||
| Molecular Weight |
406.368
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](NC(=O)c1cc(nn1C)C(F)(F)F)c1nc(no1)-c1ccnc(c1)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H17F3N6O2/c1-9(23-16(28)13-8-14(18(19,20)21)25-27(13)2)17-24-15(26-29-17)11-5-6-22-12(7-11)10-3-4-10/h5-10H,3-4H2,1-2H3,(H,23,28)/t9-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NYONYGNTNUHVRS-VIFPVBQESA-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
Protein ID: PT06983, Potassium channel subfamily T member 1
Protein ID: PT07467, Potassium channel subfamily T member 1