General Information of the Compound
Compound ID
CP0511698
Compound Name
2-(4-chlorophenyl)-N-[3-(3-pyrrolidin-1-ylphenyl)phenyl]acetamide
    Show/Hide
Structure
Formula
C24H23ClN2O
Molecular Weight
390.914
Canonical SMILES
Clc1ccc(CC(=O)Nc2cccc(c2)-c2cccc(c2)N2CCCC2)cc1
    Show/Hide
InChI
InChI=1S/C24H23ClN2O/c25-21-11-9-18(10-12-21)15-24(28)26-22-7-3-5-19(16-22)20-6-4-8-23(17-20)27-13-1-2-14-27/h3-12,16-17H,1-2,13-15H2,(H,26,28)
    Show/Hide
InChIKey
SKRNGXUJIZSKLC-UHFFFAOYSA-N
Physicochemical Property
logP
5.7884
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
28

"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: 145965919
ChEMBL ID
CHEMBL4210152
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1900 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki > 100000 nM
   TI
   LI
   LO
   TS