General Information of the Compound
Compound ID
CP0353856
Compound Name
N-(4-chlorophenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide
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Structure
Formula
C19H19ClN2O2
Molecular Weight
342.826
Canonical SMILES
Clc1ccc(NC(=O)C(=O)N2CCC(CC2)c2ccccc2)cc1
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InChI
InChI=1S/C19H19ClN2O2/c20-16-6-8-17(9-7-16)21-18(23)19(24)22-12-10-15(11-13-22)14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H,21,23)
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InChIKey
AIQISZUATRCXAD-UHFFFAOYSA-N
Physicochemical Property
logP
3.6847
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
49.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 139295362
ChEMBL ID
CHEMBL4745027
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
CL000084 SK-OV-3 Homo sapiens (Human)  1
1
IC50 = 90 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 60000 nM