General Information of the Compound
Compound ID
CP0522834
Compound Name
1-(4-phenyl-5-(3-(trifluoromethyl)phenyl)-1H-imidazol-2-yl)-4-(3-(trifluoromethyl)pyridin-2-yl)piperazine
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Structure
Formula
C26H21F6N5
Molecular Weight
517.477
Canonical SMILES
FC(F)(F)c1cccc(c1)-c1[nH]c(nc1-c1ccccc1)N1CCN(CC1)c1ncccc1C(F)(F)F
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InChI
InChI=1S/C26H21F6N5/c27-25(28,29)19-9-4-8-18(16-19)22-21(17-6-2-1-3-7-17)34-24(35-22)37-14-12-36(13-15-37)23-20(26(30,31)32)10-5-11-33-23/h1-11,16H,12-15H2,(H,34,35)
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InChIKey
NOHGGUSYSFRMJV-UHFFFAOYSA-N
Physicochemical Property
logP
6.5029
Rotatable Bonds
4
Heavy Atom Count
37
Polar Areas
48.05
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
37

"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: 11548081
SID: 16650235
ChEMBL ID
CHEMBL247859
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: PT01914, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 = 165 nM
   TI
   LI
   LO
   TS
2
IC50 = 1235 nM
   TI
   LI
   LO
   TS