General Information of the Compound
Compound ID
CP0492980
Compound Name
1-ethyl-1-[2-(3,4,5-trimethoxyphenyl)ethyl]hydrazine
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Structure
Formula
C13H22N2O3
Molecular Weight
254.33
Canonical SMILES
CCN(N)CCc1cc(OC)c(OC)c(OC)c1
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InChI
InChI=1S/C13H22N2O3/c1-5-15(14)7-6-10-8-11(16-2)13(18-4)12(9-10)17-3/h8-9H,5-7,14H2,1-4H3
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InChIKey
HZJOYUNZELOBLF-UHFFFAOYSA-N
Physicochemical Property
logP
1.4505
Rotatable Bonds
7
Heavy Atom Count
18
Polar Areas
56.95
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
18

"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: 46930150
SID: 99436851
ChEMBL ID
CHEMBL1241005
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 = 2238.72 nM
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