General Information of the Compound
Compound ID
CP0060323
Compound Name
5-aminooxy-5-(3-chlorophenyl)-N-phenylpentanamide;hydrochloride
    Show/Hide
Structure
Formula
C17H20Cl2N2O2
Molecular Weight
355.265
Canonical SMILES
Cl.NOC(CCCC(=O)Nc1ccccc1)c1cccc(Cl)c1
    Show/Hide
InChI
InChI=1S/C17H19ClN2O2.ClH/c18-14-7-4-6-13(12-14)16(22-19)10-5-11-17(21)20-15-8-2-1-3-9-15;/h1-4,6-9,12,16H,5,10-11,19H2,(H,20,21);1H
    Show/Hide
InChIKey
DVJIQOJGOXEJEO-UHFFFAOYSA-N
Physicochemical Property
logP
4.5022
Rotatable Bonds
7
Heavy Atom Count
23
Polar Areas
64.35
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 155568012
ChEMBL ID
CHEMBL4590292
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 = 1430 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3000 nM