General Information of the Compound
Compound ID
CP0239395
Compound Name
O-[(2-methoxyphenyl)-phenylmethyl]hydroxylamine;hydrochloride
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Structure
Formula
C14H16ClNO2
Molecular Weight
265.74
Canonical SMILES
Cl.COc1ccccc1C(ON)c1ccccc1
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InChI
InChI=1S/C14H15NO2.ClH/c1-16-13-10-6-5-9-12(13)14(17-15)11-7-3-2-4-8-11;/h2-10,14H,15H2,1H3;1H
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InChIKey
XNXSRKDLVVXTOI-UHFFFAOYSA-N
Physicochemical Property
logP
3.0967
Rotatable Bonds
4
Heavy Atom Count
18
Polar Areas
44.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 155511361
ChEMBL ID
CHEMBL4435742
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 = 1110 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 23000 nM