General Information of the Compound
Compound ID
CP0461122
Compound Name
2-(2'-Fluoro-biphenyl-4-yl)-propylamine
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Structure
Formula
C15H16FN
Molecular Weight
229.298
Canonical SMILES
CC(CN)c1ccc(cc1)-c1ccccc1F
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InChI
InChI=1S/C15H16FN/c1-11(10-17)12-6-8-13(9-7-12)14-4-2-3-5-15(14)16/h2-9,11H,10,17H2,1H3
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InChIKey
LPACSDZEDNCENM-UHFFFAOYSA-N
Physicochemical Property
logP
3.5549
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
26.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
17

"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: 10680928
SID: 15714176
ChEMBL ID
CHEMBL337103
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: PT03593, Glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 100000 nM
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