General Information of the Compound
Compound ID
CP0464340
Compound Name
2-(4-(2,6-dichlorophenyl)piperazin-1-yl)-6-(trifluoromethyl)-1H-benzo[d]imidazole
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Structure
Formula
C18H15Cl2F3N4
Molecular Weight
415.246
Canonical SMILES
FC(F)(F)c1ccc2nc([nH]c2c1)N1CCN(CC1)c1c(Cl)cccc1Cl
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InChI
InChI=1S/C18H15Cl2F3N4/c19-12-2-1-3-13(20)16(12)26-6-8-27(9-7-26)17-24-14-5-4-11(18(21,22)23)10-15(14)25-17/h1-5,10H,6-9H2,(H,24,25)
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InChIKey
URAVGFKWFKKVSN-UHFFFAOYSA-N
Physicochemical Property
logP
5.2151
Rotatable Bonds
2
Heavy Atom Count
27
Polar Areas
35.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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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PubChem ID
CID: 10047447
SID: 15030923
ChEMBL ID
CHEMBL210251
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 = 1270 nM
   TI
   LI
   LO
   TS
2
IC50 > 40000 nM
   TI
   LI
   LO
   TS