General Information of the Compound
Compound ID
CP0568998
Compound Name
(1S,2R)-2-(2-phenoxyphenyl)cyclopropan-1-amine
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Structure
Formula
C15H15NO
Molecular Weight
225.291
Canonical SMILES
N[C@H]1C[C@@H]1c1ccccc1Oc1ccccc1
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InChI
InChI=1S/C15H15NO/c16-14-10-13(14)12-8-4-5-9-15(12)17-11-6-2-1-3-7-11/h1-9,13-14H,10,16H2/t13-,14+/m1/s1
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InChIKey
UFIWTIGSKKEYJB-KGLIPLIRSA-N
Physicochemical Property
logP
3.2935
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
35.25
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 168283971
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 = 19000 nM
   TI
   LI
   LO
   TS