General Information of the Compound
Compound ID
CP0572876
Compound Name
(1S,2R)-2-(4-bromo-5-fluoro-2-methylphenyl)cyclopropan-1-amine
    Show/Hide
Structure
Formula
C10H11BrFN
Molecular Weight
244.107
Canonical SMILES
Cc1cc(Br)c(F)cc1[C@H]1C[C@@H]1N
    Show/Hide
InChI
InChI=1S/C10H11BrFN/c1-5-2-8(11)9(12)3-6(5)7-4-10(7)13/h2-3,7,10H,4,13H2,1H3/t7-,10+/m1/s1
    Show/Hide
InChIKey
PTHUNDRPMGKZPH-XCBNKYQSSA-N
Physicochemical Property
logP
2.71122
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 168270441
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 = 320 nM
   TI
   LI
   LO
   TS