General Information of the Compound
Compound ID
CP0568999
Compound Name
(1S,2R)-2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropan-1-amine
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Structure
Formula
C10H9F4N
Molecular Weight
219.181
Canonical SMILES
N[C@H]1C[C@@H]1c1ccc(c(F)c1)C(F)(F)F
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InChI
InChI=1S/C10H9F4N/c11-8-3-5(6-4-9(6)15)1-2-7(8)10(12,13)14/h1-3,6,9H,4,15H2/t6-,9+/m1/s1
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InChIKey
IHQZURPQWHVABK-MUWHJKNJSA-N
Physicochemical Property
logP
2.6591
Rotatable Bonds
1
Heavy Atom Count
15
Polar Areas
26.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
15

"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: 147919089
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 = 150 nM
   TI
   LI
   LO
   TS