General Information of the Compound
Compound ID
CP0492979
Compound Name
2-hydrazinyl-1-(3-methoxyphenyl)ethanol
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Structure
Formula
C9H14N2O2
Molecular Weight
182.223
Canonical SMILES
COc1cccc(c1)C(O)CNN
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InChI
InChI=1S/C9H14N2O2/c1-13-8-4-2-3-7(5-8)9(12)6-11-10/h2-5,9,11-12H,6,10H2,1H3
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InChIKey
SOCZTPZYPMKIIU-UHFFFAOYSA-N
Physicochemical Property
logP
0.1919
Rotatable Bonds
4
Heavy Atom Count
13
Polar Areas
67.51
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
13

"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: 21361111
SID: 99435367
ChEMBL ID
CHEMBL1241071
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 = 52.48 nM
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