General Information of the Compound
Compound ID
CP0492874
Compound Name
1-[2-(4-methoxyphenyl)-2-phenylmethoxyethyl]-1-methylhydrazine
    Show/Hide
Structure
Formula
C17H22N2O2
Molecular Weight
286.375
Canonical SMILES
COc1ccc(cc1)C(CN(C)N)OCc1ccccc1
    Show/Hide
InChI
InChI=1S/C17H22N2O2/c1-19(18)12-17(15-8-10-16(20-2)11-9-15)21-13-14-6-4-3-5-7-14/h3-11,17H,12-13,18H2,1-2H3
    Show/Hide
InChIKey
YQZYSFCBZSKMDG-UHFFFAOYSA-N
Physicochemical Property
logP
2.7586
Rotatable Bonds
7
Heavy Atom Count
21
Polar Areas
47.72
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 46929950
SID: 99436554
ChEMBL ID
CHEMBL1243019
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: PT02562, Membrane primary amine oxidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 389.05 nM
   TI
   LI
   LO
   TS