General Information of the Compound
Compound ID
CP0495535
Compound Name
4-(phenoxymethyl)-1-phenyltriazole
    Show/Hide
Structure
Formula
C15H13N3O
Molecular Weight
251.289
Canonical SMILES
C(Oc1ccccc1)c1cn(nn1)-c1ccccc1
    Show/Hide
InChI
InChI=1S/C15H13N3O/c1-3-7-14(8-4-1)18-11-13(16-17-18)12-19-15-9-5-2-6-10-15/h1-11H,12H2
    Show/Hide
InChIKey
YAMKQOLLUFRTQD-UHFFFAOYSA-N
CAS
58432-25-0
Physicochemical Property
logP
2.8463
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
39.94
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
19

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 851737
ChEMBL ID
CHEMBL402642
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: PT06730, Sodium channel protein type 8 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 28500 nM
   TI
   LI
   LO
   TS