General Information of the Compound
Compound ID
CP0553681
Compound Name
N-(3-chloro-4-fluorophenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide
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Structure
Formula
C19H18ClFN2O2
Molecular Weight
360.816
Canonical SMILES
Fc1ccc(NC(=O)C(=O)N2CCC(CC2)c2ccccc2)cc1Cl
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InChI
InChI=1S/C19H18ClFN2O2/c20-16-12-15(6-7-17(16)21)22-18(24)19(25)23-10-8-14(9-11-23)13-4-2-1-3-5-13/h1-7,12,14H,8-11H2,(H,22,24)
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InChIKey
BSBONFUMRLZXNF-UHFFFAOYSA-N
Physicochemical Property
logP
3.8238
Rotatable Bonds
2
Heavy Atom Count
25
Polar Areas
49.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
25

"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: 139295410
ChEMBL ID
CHEMBL4753372
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 = 1800 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 60000 nM