General Information of the Compound
Compound ID
CP0574479
Compound Name
(1R,2R)-2-(4-bromo-2-chloro-5-fluorophenyl)cyclopropan-1-amine
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Structure
Formula
C9H8BrClFN
Molecular Weight
264.525
Canonical SMILES
N[C@@H]1C[C@@H]1c1cc(F)c(Br)cc1Cl
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InChI
InChI=1S/C9H8BrClFN/c10-6-3-7(11)4(1-8(6)12)5-2-9(5)13/h1,3,5,9H,2,13H2/t5-,9-/m1/s1
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InChIKey
VPSUYPANSGZQON-MLUIRONXSA-N
Physicochemical Property
logP
3.0562
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: 168292181
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 = 13 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 = 20000 nM
   TI
   LI
   LO
   TS