General Information of the Compound
Compound ID
CP0574470
Compound Name
(1S,2R)-2-(3-fluoro-4-methoxyphenyl)cyclopropan-1-amine
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Structure
Formula
C10H12FNO
Molecular Weight
181.21
Canonical SMILES
COc1ccc(cc1F)[C@H]1C[C@@H]1N
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InChI
InChI=1S/C10H12FNO/c1-13-10-3-2-6(4-8(10)11)7-5-9(7)12/h2-4,7,9H,5,12H2,1H3/t7-,9+/m1/s1
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InChIKey
SHTASVBUYVBQSH-APPZFPTMSA-N
Physicochemical Property
logP
1.6489
Rotatable Bonds
2
Heavy Atom Count
13
Polar Areas
35.25
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
13

"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: 94827290
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 = 32000 nM
   TI
   LI
   LO
   TS