General Information of the Compound
Compound ID
CP0381711
Compound Name
3,5-dimethoxy-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
    Show/Hide
Structure
Formula
C19H22N2O4
Molecular Weight
342.395
Canonical SMILES
COc1cc(OC)cc(c1)C(=O)NCC(=O)N[C@@H](C)c1ccccc1
    Show/Hide
InChI
InChI=1S/C19H22N2O4/c1-13(14-7-5-4-6-8-14)21-18(22)12-20-19(23)15-9-16(24-2)11-17(10-15)25-3/h4-11,13H,12H2,1-3H3,(H,20,23)(H,21,22)/t13-/m0/s1
    Show/Hide
InChIKey
KCPQWEIJKSDUMS-ZDUSSCGKSA-N
Physicochemical Property
logP
2.311
Rotatable Bonds
7
Heavy Atom Count
25
Polar Areas
76.66
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 2109722
ChEMBL ID
CHEMBL3633890
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: PT06277, Probable G-protein coupled receptor 139
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 32 nM
   TI
   LI
   LO
   TS