General Information of the Compound
Compound ID
CP0414487
Compound Name
N-[[4-(dimethylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide
    Show/Hide
Synonyms
N,N-methylenebis-2-phenylacetamide and benzenesulfonamide derivative 1
PMID27215781-Compound-38
    Show/Hide
Structure
Formula
C25H27N3O2
Molecular Weight
401.51
Canonical SMILES
CN(C)c1ccc(cc1)C(NC(=O)Cc1ccccc1)NC(=O)Cc1ccccc1
    Show/Hide
InChI
InChI=1S/C25H27N3O2/c1-28(2)22-15-13-21(14-16-22)25(26-23(29)17-19-9-5-3-6-10-19)27-24(30)18-20-11-7-4-8-12-20/h3-16,25H,17-18H2,1-2H3,(H,26,29)(H,27,30)
    Show/Hide
InChIKey
XZLHEBHGANHBEG-UHFFFAOYSA-N
Physicochemical Property
logP
3.469
Rotatable Bonds
8
Heavy Atom Count
30
Polar Areas
61.44
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 4296438
SID: 163506379
ChEMBL ID
CHEMBL2179776
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki > 20000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 = 159.1 nM
   TI
   LI
   LO
   TS
2
Ki = 777 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N,N-methylenebis-2-phenylacetamide and benzenesulfonamide derivative 1 )
Drug Name N,N-methylenebis-2-phenylacetamide and benzenesulfonamide derivative 1
Indication
Osteoporosis
Patented
Target(s)
Cannabinoid receptor 2 (CB2)
-