General Information of the Compound
Compound ID
CP0865893
Compound Name
(R)-1-fluoro-2-(4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-2-yl)propan-2-amine
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Structure
Formula
C13H13F4N3O
Molecular Weight
303.259
Canonical SMILES
C[C@](N)(CF)c1nc(-c2ccc(OC(F)(F)F)cc2)c[nH]1
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InChI
InChI=1S/C13H13F4N3O/c1-12(18,7-14)11-19-6-10(20-11)8-2-4-9(5-3-8)21-13(15,16)17/h2-6H,7,18H2,1H3,(H,19,20)/t12-/m0/s1
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InChIKey
SKHOHAHLSXSETC-LBPRGKRZSA-N
Physicochemical Property
logP
3.1187
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
63.93
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 137657919
ChEMBL ID
CHEMBL4104889
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: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 14000 nM
   TI
   LI
   LO
   TS
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 = 790 nM
   TI
   LI
   LO
   TS