General Information of the Compound
Compound ID
CP0060691
Compound Name
O-[(2,4-dichlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride
    Show/Hide
Structure
Formula
C13H12Cl3NO
Molecular Weight
304.604
Canonical SMILES
Cl.NOC(c1ccccc1)c1ccc(Cl)cc1Cl
    Show/Hide
InChI
InChI=1S/C13H11Cl2NO.ClH/c14-10-6-7-11(12(15)8-10)13(17-16)9-4-2-1-3-5-9;/h1-8,13H,16H2;1H
    Show/Hide
InChIKey
NJJSJNMGOHDNGX-UHFFFAOYSA-N
Physicochemical Property
logP
4.3949
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
35.25
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 155564613
ChEMBL ID
CHEMBL4578334
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 = 1990 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 4000 nM