General Information of the Compound
Compound ID
CP0002158
Compound Name
(R/S)-2-(1H-indol-3-yl)-N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-2-oxoacetamide
    Show/Hide
Structure
Formula
C20H18N2O3
Molecular Weight
334.375
Canonical SMILES
COc1ccc2C(CCc2c1)NC(=O)C(=O)c1c[nH]c2ccccc12
    Show/Hide
InChI
InChI=1S/C20H18N2O3/c1-25-13-7-8-14-12(10-13)6-9-18(14)22-20(24)19(23)16-11-21-17-5-3-2-4-15(16)17/h2-5,7-8,10-11,18,21H,6,9H2,1H3,(H,22,24)
    Show/Hide
InChIKey
FKIFCJXVYFACJA-UHFFFAOYSA-N
Physicochemical Property
logP
3.1629
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
71.19
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 44157142
SID: 85157066
ChEMBL ID
CHEMBL495635
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: PT05269, Gamma-aminobutyric acid receptor subunit alpha-2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 690 nM
   TI
   LI
   LO
   TS