General Information of the Compound
Compound ID
CP0365962
Compound Name
4-[aminooxy(phenyl)methyl]phenol;hydrochloride
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Structure
Formula
C13H14ClNO2
Molecular Weight
251.713
Canonical SMILES
Cl.NOC(c1ccccc1)c1ccc(O)cc1
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InChI
InChI=1S/C13H13NO2.ClH/c14-16-13(10-4-2-1-3-5-10)11-6-8-12(15)9-7-11;/h1-9,13,15H,14H2;1H
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InChIKey
WYMATKYBBDYTOR-UHFFFAOYSA-N
Physicochemical Property
logP
2.7937
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
55.48
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
17

"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: 155514083
ChEMBL ID
CHEMBL4439774
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: PT01557, Indoleamine 2,3-dioxygenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 2890 nM
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