General Information of the Compound
Compound ID
CP0929049
Compound Name
(S)-1-(4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-2-yl)propan-2-amine
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Structure
Formula
C13H14F3N3O
Molecular Weight
285.269
Canonical SMILES
C[C@H](N)Cc1nc(-c2ccc(OC(F)(F)F)cc2)c[nH]1
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InChI
InChI=1S/C13H14F3N3O/c1-8(17)6-12-18-7-11(19-12)9-2-4-10(5-3-9)20-13(14,15)16/h2-5,7-8H,6,17H2,1H3,(H,18,19)/t8-/m0/s1
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InChIKey
XHAUREOVZCXFMB-QMMMGPOBSA-N
Physicochemical Property
logP
2.865
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
63.93
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 137647174
ChEMBL ID
CHEMBL4081959
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 = 260 nM
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