General Information of the Compound
Compound ID
CP0473478
Compound Name
1-ethyl-1-[2-(4-methoxyphenyl)ethyl]hydrazine
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Structure
Formula
C11H18N2O
Molecular Weight
194.278
Canonical SMILES
CCN(N)CCc1ccc(OC)cc1
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InChI
InChI=1S/C11H18N2O/c1-3-13(12)9-8-10-4-6-11(14-2)7-5-10/h4-7H,3,8-9,12H2,1-2H3
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InChIKey
KQFNYKZPBWSVPY-UHFFFAOYSA-N
Physicochemical Property
logP
1.4333
Rotatable Bonds
5
Heavy Atom Count
14
Polar Areas
38.49
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
14

"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: 46930148
SID: 99436850
ChEMBL ID
CHEMBL1241004
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 = 79.43 nM
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