General Information of the Compound
Compound ID
CP0234509
Compound Name
N-(4-chlorophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
    Show/Hide
Structure
Formula
C16H11ClN2O2
Molecular Weight
298.729
Canonical SMILES
Clc1ccc(NC(=O)C(=O)c2c[nH]c3ccccc23)cc1
    Show/Hide
InChI
InChI=1S/C16H11ClN2O2/c17-10-5-7-11(8-6-10)19-16(21)15(20)13-9-18-14-4-2-1-3-12(13)14/h1-9,18H,(H,19,21)
    Show/Hide
InChIKey
VNPGQWCAWFGPDK-UHFFFAOYSA-N
Physicochemical Property
logP
3.6427
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
61.96
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: 6484401
SID: 49637668
ChEMBL ID
CHEMBL568381
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: PT02841, Envelope glycoprotein gp160
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000442 Cf2Th-CCR5 Canis lupus familiaris (Dog)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS