General Information of the Compound
Compound ID
CP0478915
Compound Name
2-[[5-[(2-fluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]amino]acetamide
    Show/Hide
Structure
Formula
C18H19FN2O2
Molecular Weight
314.36
Canonical SMILES
NC(=O)CNC1CCc2cc(OCc3ccccc3F)ccc12
    Show/Hide
InChI
InChI=1S/C18H19FN2O2/c19-16-4-2-1-3-13(16)11-23-14-6-7-15-12(9-14)5-8-17(15)21-10-18(20)22/h1-4,6-7,9,17,21H,5,8,10-11H2,(H2,20,22)
    Show/Hide
InChIKey
QKQGDYQOXHCRTA-UHFFFAOYSA-N
Physicochemical Property
logP
2.4669
Rotatable Bonds
6
Heavy Atom Count
23
Polar Areas
64.35
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 156017911
ChEMBL ID
CHEMBL4643518
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: PT03042, Sodium channel protein type 3 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 31622.78 nM
   TI
   LI
   LO
   TS