General Information of the Compound
Compound ID
CP0406041
Compound Name
2-[amino(methyl)amino]-1-naphthalen-2-ylethanol
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Structure
Formula
C13H16N2O
Molecular Weight
216.284
Canonical SMILES
CN(N)CC(O)c1ccc2ccccc2c1
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InChI
InChI=1S/C13H16N2O/c1-15(14)9-13(16)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,13,16H,9,14H2,1H3
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InChIKey
DQLYUTDYPXOKAH-UHFFFAOYSA-N
Physicochemical Property
logP
1.6787
Rotatable Bonds
3
Heavy Atom Count
16
Polar Areas
49.49
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
16

"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: 46929635
SID: 99435579
ChEMBL ID
CHEMBL1241260
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 = 426.58 nM
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