General Information of the Compound
Compound ID
CP0563812
Compound Name
2-methyl-N-[(1S)-1-[3-(2-methylpyridin-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
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Formula
C16H15F3N6O2
Molecular Weight
380.33
Canonical SMILES
C[C@H](NC(=O)c1cc(nn1C)C(F)(F)F)c1nc(no1)-c1ccnc(C)c1
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InChI
InChI=1S/C16H15F3N6O2/c1-8-6-10(4-5-20-8)13-22-15(27-24-13)9(2)21-14(26)11-7-12(16(17,18)19)23-25(11)3/h4-7,9H,1-3H3,(H,21,26)/t9-/m0/s1
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InChIKey
JOIIFBPFECVQDT-VIFPVBQESA-N
Physicochemical Property
logP
2.68332
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
98.73
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
27

"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).

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ChEMBL ID
CHEMBL4786255
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000058 T-REx-293 Homo sapiens (Human)  1
1
IC50 = 165 nM
   TI
   LI
   LO
   TS
Protein ID: PT07467, Potassium channel subfamily T member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000058 T-REx-293 Homo sapiens (Human)  1
1
IC50 = 14500 nM
   TI
   LI
   LO
   TS