General Information of the Compound
Compound ID
CP0473475
Compound Name
1-[2-methoxy-2-(2,3,4-trimethoxyphenyl)ethyl]-1-methylhydrazine
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Structure
Formula
C13H22N2O4
Molecular Weight
270.329
Canonical SMILES
COC(CN(C)N)c1ccc(OC)c(OC)c1OC
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InChI
InChI=1S/C13H22N2O4/c1-15(14)8-11(17-3)9-6-7-10(16-2)13(19-5)12(9)18-4/h6-7,11H,8,14H2,1-5H3
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InChIKey
GCNVHNYVEUCBAT-UHFFFAOYSA-N
Physicochemical Property
logP
1.2054
Rotatable Bonds
7
Heavy Atom Count
19
Polar Areas
66.18
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 46929944
SID: 99435884
ChEMBL ID
CHEMBL1241376
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 = 630.96 nM
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