General Information of the Compound
Compound ID
CP0364411
Compound Name
(1S,2R)-2-phenyl-N-[(4-phenylphenyl)methyl]cyclopropan-1-amine
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Structure
Formula
C22H21N
Molecular Weight
299.417
Canonical SMILES
C(N[C@H]1C[C@@H]1c1ccccc1)c1ccc(cc1)-c1ccccc1
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InChI
InChI=1S/C22H21N/c1-3-7-18(8-4-1)19-13-11-17(12-14-19)16-23-22-15-21(22)20-9-5-2-6-10-20/h1-14,21-23H,15-16H2/t21-,22+/m1/s1
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InChIKey
RXRQYAABOQLSGL-YADHBBJMSA-N
Physicochemical Property
logP
4.9993
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
12.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
23

"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: 145991708
ChEMBL ID
CHEMBL4284708
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 = 119.9 nM
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