General Information of the Compound
Compound ID
CP0894512
Compound Name
(S)-1-methoxy-2-(4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-2-yl)propan-2-amine
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Structure
Formula
C14H16F3N3O2
Molecular Weight
315.295
Canonical SMILES
COC[C@@](C)(N)c1nc(-c2ccc(OC(F)(F)F)cc2)c[nH]1
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InChI
InChI=1S/C14H16F3N3O2/c1-13(18,8-21-2)12-19-7-11(20-12)9-3-5-10(6-4-9)22-14(15,16)17/h3-7H,8,18H2,1-2H3,(H,19,20)/t13-/m1/s1
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InChIKey
RDRDGUDQOZOGOD-CYBMUJFWSA-N
Physicochemical Property
logP
2.7956
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
73.16
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 137631834
ChEMBL ID
CHEMBL4069225
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 = 3700 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 = 84 nM
   TI
   LI
   LO
   TS