General Information of the Compound
Compound ID
CP0521424
Compound Name
N-[3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-2,2-diphenylacetamide
    Show/Hide
Structure
Formula
C30H34ClN3O
Molecular Weight
488.075
Canonical SMILES
Clc1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1N1CCC(CC1)N1CCCCC1
    Show/Hide
InChI
InChI=1S/C30H34ClN3O/c31-27-22-25(14-15-28(27)34-20-16-26(17-21-34)33-18-8-3-9-19-33)32-30(35)29(23-10-4-1-5-11-23)24-12-6-2-7-13-24/h1-2,4-7,10-15,22,26,29H,3,8-9,16-21H2,(H,32,35)
    Show/Hide
InChIKey
QOGBCJRXYIXXHR-UHFFFAOYSA-N
Physicochemical Property
logP
6.5653
Rotatable Bonds
6
Heavy Atom Count
35
Polar Areas
35.58
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
35

"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: 52942479
ChEMBL ID
CHEMBL1288016
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: PT01611, Neuropeptide Y receptor type 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000788 KAN-TS Homo sapiens (Human)  1
1
Ki = 50.12 nM
   TI
   LI
   LO
   TS
Protein ID: PT00694, Neuropeptide Y-Y2 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 79.43 nM
   TI
   LI
   LO
   TS