General Information of the Compound
Compound ID
CP0385344
Compound Name
N-(4-fluorophenyl)-1-methyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
    Show/Hide
Structure
Formula
C21H18F4N4O
Molecular Weight
418.394
Canonical SMILES
Cn1cnc2C(N(CCc12)C(=O)Nc1ccc(F)cc1)c1ccc(cc1)C(F)(F)F
    Show/Hide
InChI
InChI=1S/C21H18F4N4O/c1-28-12-26-18-17(28)10-11-29(20(30)27-16-8-6-15(22)7-9-16)19(18)13-2-4-14(5-3-13)21(23,24)25/h2-9,12,19H,10-11H2,1H3,(H,27,30)
    Show/Hide
InChIKey
ZSTGYKXUKMGRAN-UHFFFAOYSA-N
Physicochemical Property
logP
4.7576
Rotatable Bonds
2
Heavy Atom Count
30
Polar Areas
50.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
30

"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
CID: 57326209
SID: 136328182
ChEMBL ID
CHEMBL2032201
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: PT05529, Transient receptor potential cation channel subfamily M member 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 260 nM
   TI
   LI
   LO
   TS