General Information of the Compound
Compound ID
CP0562718
Compound Name
2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]acetamide
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Structure
Formula
C16H17FN2O2
Molecular Weight
288.322
Canonical SMILES
NC(=O)CNCc1ccc(OCc2ccccc2F)cc1
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InChI
InChI=1S/C16H17FN2O2/c17-15-4-2-1-3-13(15)11-21-14-7-5-12(6-8-14)9-19-10-16(18)20/h1-8,19H,9-11H2,(H2,18,20)
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InChIKey
VDUBWSLJKLQOKN-UHFFFAOYSA-N
Physicochemical Property
logP
1.9796
Rotatable Bonds
7
Heavy Atom Count
21
Polar Areas
64.35
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 44126076
SID: 84977951
ChEMBL ID
CHEMBL4643538
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 = 50118.72 nM
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