General Information of the Compound
Compound ID
CP0179152
Compound Name
O-[3-(3-chlorophenyl)-1-phenylpropyl]hydroxylamine;hydrochloride
    Show/Hide
Structure
Formula
C15H17Cl2NO
Molecular Weight
298.213
Canonical SMILES
Cl.NOC(CCc1cccc(Cl)c1)c1ccccc1
    Show/Hide
InChI
InChI=1S/C15H16ClNO.ClH/c16-14-8-4-5-12(11-14)9-10-15(18-17)13-6-2-1-3-7-13;/h1-8,11,15H,9-10,17H2;1H
    Show/Hide
InChIKey
JNKDKXFKIGSBNH-UHFFFAOYSA-N
Physicochemical Property
logP
4.326
Rotatable Bonds
5
Heavy Atom Count
19
Polar Areas
35.25
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 155516689
ChEMBL ID
CHEMBL4443640
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 = 6740 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 7000 nM