General Information of the Compound
Compound ID
CP0568997
Compound Name
(1R,2R)-2-(4-ethoxy-3-fluorophenyl)cyclopropan-1-amine
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Structure
Formula
C11H14FNO
Molecular Weight
195.237
Canonical SMILES
CCOc1ccc(cc1F)[C@H]1C[C@H]1N
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InChI
InChI=1S/C11H14FNO/c1-2-14-11-4-3-7(5-9(11)12)8-6-10(8)13/h3-5,8,10H,2,6,13H2,1H3/t8-,10-/m1/s1
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InChIKey
IMDPOLWCVTWFBR-PSASIEDQSA-N
Physicochemical Property
logP
2.039
Rotatable Bonds
3
Heavy Atom Count
14
Polar Areas
35.25
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
14

"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: 96656843
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: PT02899, Lysine-specific histone demethylase 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 31000 nM
   TI
   LI
   LO
   TS