General Information of the Compound
Compound ID
CP0849215
Compound Name
(S)-N-(2-oxo-2-((1-phenylethyl)amino)ethyl)benzamide
    Show/Hide
Structure
Formula
C17H18N2O2
Molecular Weight
282.343
Canonical SMILES
C[C@H](NC(=O)CNC(=O)c1ccccc1)c1ccccc1
    Show/Hide
InChI
InChI=1S/C17H18N2O2/c1-13(14-8-4-2-5-9-14)19-16(20)12-18-17(21)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,18,21)(H,19,20)/t13-/m0/s1
    Show/Hide
InChIKey
NPQGQQXNUGFMBV-ZDUSSCGKSA-N
Physicochemical Property
logP
2.2938
Rotatable Bonds
5
Heavy Atom Count
21
Polar Areas
58.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 1555702
ChEMBL ID
CHEMBL3633718
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 = 162 nM
   TI
   LI
   LO
   TS