General Information of the Compound
Compound ID
CP0861344
Compound Name
3-(4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-2-yl)piperidine
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Structure
Formula
C15H16F3N3O
Molecular Weight
311.307
Canonical SMILES
FC(F)(F)Oc1ccc(-c2c[nH]c(C3CCCNC3)n2)cc1
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InChI
InChI=1S/C15H16F3N3O/c16-15(17,18)22-12-5-3-10(4-6-12)13-9-20-14(21-13)11-2-1-7-19-8-11/h3-6,9,11,19H,1-2,7-8H2,(H,20,21)
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InChIKey
UNQXMEPIBOZXQE-UHFFFAOYSA-N
Physicochemical Property
logP
3.4423
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
49.94
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 137653454
ChEMBL ID
CHEMBL4092210
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: PT02752, Sodium channel protein type 10 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 620 nM
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