General Information of the Compound
Compound ID
CP0062445
Compound Name
N-[(2,4-dichlorophenyl)methyl]-4-phenoxypiperidine-1-carboxamide
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Structure
Formula
C19H20Cl2N2O2
Molecular Weight
379.287
Canonical SMILES
Clc1ccc(CNC(=O)N2CCC(CC2)Oc2ccccc2)c(Cl)c1
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InChI
InChI=1S/C19H20Cl2N2O2/c20-15-7-6-14(18(21)12-15)13-22-19(24)23-10-8-17(9-11-23)25-16-4-2-1-3-5-16/h1-7,12,17H,8-11,13H2,(H,22,24)
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InChIKey
GNYKLFXXXBPLNY-UHFFFAOYSA-N
Physicochemical Property
logP
4.7464
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
41.57
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: 16739030
SID: 26697857
ChEMBL ID
CHEMBL589135
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: PT01103, Bifunctional epoxide hydrolase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
IC50 = 5.1 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 4.3 nM