General Information of the Compound
Compound ID
CP0436329
Compound Name
5-bromo-2-(4-(1,1,2,2-tetrafluoroethoxy)phenyl)-1H-benzo[d]imidazole
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Structure
Formula
C15H9BrF4N2O
Molecular Weight
389.146
Canonical SMILES
FC(F)C(F)(F)Oc1ccc(cc1)-c1nc2ccc(Br)cc2[nH]1
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InChI
InChI=1S/C15H9BrF4N2O/c16-9-3-6-11-12(7-9)22-13(21-11)8-1-4-10(5-2-8)23-15(19,20)14(17)18/h1-7,14H,(H,21,22)
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InChIKey
IYLJYEOYSWMMOI-UHFFFAOYSA-N
Physicochemical Property
logP
5.2291
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
37.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
23

"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: 44447627
ChEMBL ID
CHEMBL398274
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: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 380 nM
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