General Information of the Compound
Compound ID
CP0909521
Compound Name
(R)-2-(benzyloxy)-1-(5-(4-(trifluoromethoxy)phenyl)-1H-imidazol-2-yl)ethanamine
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Structure
Formula
C19H18F3N3O2
Molecular Weight
377.366
Canonical SMILES
N[C@@H](COCc1ccccc1)c1nc(-c2ccc(OC(F)(F)F)cc2)c[nH]1
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InChI
InChI=1S/C19H18F3N3O2/c20-19(21,22)27-15-8-6-14(7-9-15)17-10-24-18(25-17)16(23)12-26-11-13-4-2-1-3-5-13/h1-10,16H,11-12,23H2,(H,24,25)/t16-/m0/s1
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InChIKey
UEKKKCYZHUSYAU-INIZCTEOSA-N
Physicochemical Property
logP
4.1919
Rotatable Bonds
7
Heavy Atom Count
27
Polar Areas
73.16
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 137634362
ChEMBL ID
CHEMBL4062394
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 = 340 nM
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