General Information of the Compound
Compound ID
CP0149306
Compound Name
(1S,2R)-N-[(2,4-dichlorophenyl)methyl]-2-phenylcyclopropan-1-amine
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Structure
Formula
C16H15Cl2N
Molecular Weight
292.209
Canonical SMILES
Clc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)c(Cl)c1
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InChI
InChI=1S/C16H15Cl2N/c17-13-7-6-12(15(18)8-13)10-19-16-9-14(16)11-4-2-1-3-5-11/h1-8,14,16,19H,9-10H2/t14-,16+/m1/s1
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InChIKey
GDPXRNWQJOQXIT-ZBFHGGJFSA-N
Physicochemical Property
logP
4.6391
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
12.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
19

"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: 145987550
ChEMBL ID
CHEMBL4290483
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
IC50 = 202.8 nM
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