General Information of the Compound
Compound ID
CP0436467
Compound Name
N-(4-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
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Structure
Formula
C20H16F4N4O
Molecular Weight
404.367
Canonical SMILES
Fc1ccc(NC(=O)N2CCc3nc[nH]c3C2c2ccc(cc2)C(F)(F)F)cc1
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InChI
InChI=1S/C20H16F4N4O/c21-14-5-7-15(8-6-14)27-19(29)28-10-9-16-17(26-11-25-16)18(28)12-1-3-13(4-2-12)20(22,23)24/h1-8,11,18H,9-10H2,(H,25,26)(H,27,29)
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InChIKey
UAOMQZHFICEDBZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.7472
Rotatable Bonds
2
Heavy Atom Count
29
Polar Areas
61.02
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
29

"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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PubChem ID
CID: 57326110
SID: 136328084
ChEMBL ID
CHEMBL2032200
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 = 1430 nM
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