General Information of the Compound
Compound ID
CP0563389
Compound Name
4-[[3-(5-chloropyridin-2-yl)oxyphenyl]methyl]-N-pyridin-3-ylpiperidine-1-carboxamide
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Structure
Formula
C23H23ClN4O2
Molecular Weight
422.916
Canonical SMILES
Clc1ccc(Oc2cccc(CC3CCN(CC3)C(=O)Nc3cccnc3)c2)nc1
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InChI
InChI=1S/C23H23ClN4O2/c24-19-6-7-22(26-15-19)30-21-5-1-3-18(14-21)13-17-8-11-28(12-9-17)23(29)27-20-4-2-10-25-16-20/h1-7,10,14-17H,8-9,11-13H2,(H,27,29)
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InChIKey
UCGHUYFVYSJSHO-UHFFFAOYSA-N
Physicochemical Property
logP
5.4089
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
67.35
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 127043920
ChEMBL ID
CHEMBL3809683
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: PT01099, Fatty-acid amide hydrolase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000074 SK-N-MC Homo sapiens (Human)  1
1
IC50 = 1 nM
   TI
   LI
   LO
   TS
Protein ID: PT00961, Fatty-acid amide hydrolase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000074 SK-N-MC Homo sapiens (Human)  1
1
IC50 = 22 nM
   TI
   LI
   LO
   TS