General Information of the Compound
Compound ID
CP0236213
Compound Name
6,7-dichloro-2,3-dihydro-1H-indole-2,3-dione
    Show/Hide
Synonyms
18711-12-1
1H-Indole-2,3-dione, 6,7-dichloro-
1H-Indole-2,3-dione,6,7-dichloro-
6,7-Dichloroindoline-2,3-dione
6,7-dichlorisatin
6,7-dichloro-1H-indole-2,3-dione
6,7-dichloro-2,3-dihydro-1H-indole-2,3-dione
6,7-dichloroisatin
AC1Q3HQA
AJ-65537
AKOS000139553
BDBM22834
CHEMBL222292
CTK4D9416
DTXSID30588487
EN300-36024
FT-0620847
Isatin-based compound, 54
KB-335070
MCULE-1304306967
MolPort-004-304-808
SCHEMBL1248801
STL381782
XTXIILHWOQZVAQ-UHFFFAOYSA-N
Y-0718
ZINC14979616
    Show/Hide
Structure
Formula
C8H3Cl2NO2
Molecular Weight
216.023
Canonical SMILES
Clc1ccc2C(=O)C(=O)Nc2c1Cl
    Show/Hide
InChI
InChI=1S/C8H3Cl2NO2/c9-4-2-1-3-6(5(4)10)11-8(13)7(3)12/h1-2H,(H,11,12,13)
    Show/Hide
InChIKey
XTXIILHWOQZVAQ-UHFFFAOYSA-N
Physicochemical Property
logP
2.1282
Rotatable Bonds
0
Heavy Atom Count
13
Polar Areas
46.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
13

"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: 16786802
ChEMBL ID
CHEMBL222292
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: PT02186, Liver carboxylesterase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 9400 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 6,7-dichloro-1H-indole-2,3-dione )
Drug Name 6,7-dichloro-1H-indole-2,3-dione
Target(s)
Liver carboxylesterase (CES1)
Inhibitor