General Information of the Compound
Compound ID
CP0574477
Compound Name
5-[(1R,2R)-2-aminocyclopropyl]-2-bromophenol
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Structure
Formula
C9H10BrNO
Molecular Weight
228.089
Canonical SMILES
N[C@@H]1C[C@@H]1c1ccc(Br)c(O)c1
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InChI
InChI=1S/C9H10BrNO/c10-7-2-1-5(3-9(7)12)6-4-8(6)11/h1-3,6,8,12H,4,11H2/t6-,8-/m1/s1
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InChIKey
LTCCXGUWMATUKA-HTRCEHHLSA-N
Physicochemical Property
logP
1.9693
Rotatable Bonds
1
Heavy Atom Count
12
Polar Areas
46.25
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
12

"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: 168285496
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 = 34000 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 = 88000 nM
   TI
   LI
   LO
   TS