General Information of the Compound
Compound ID
CP0574530
Compound Name
(1S,2R)-2-(4-bromo-2,3-difluorophenyl)cyclopropan-1-amine
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Structure
Formula
C9H8BrF2N
Molecular Weight
248.07
Canonical SMILES
N[C@H]1C[C@@H]1c1ccc(Br)c(F)c1F
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InChI
InChI=1S/C9H8BrF2N/c10-6-2-1-4(5-3-7(5)13)8(11)9(6)12/h1-2,5,7H,3,13H2/t5-,7+/m1/s1
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InChIKey
FHCTZRIAMYAFMU-VDTYLAMSSA-N
Physicochemical Property
logP
2.5419
Rotatable Bonds
1
Heavy Atom Count
13
Polar Areas
26.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
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: 168278131
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 = 220 nM
   TI
   LI
   LO
   TS
Protein ID: PT03336, Lysine-specific histone demethylase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 99000 nM
   TI
   LI
   LO
   TS