General Information of the Compound
Compound ID
CP0280270
Compound Name
4,5-dichloro-2,3-dihydro-1H-indole-2,3-dione
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Synonyms
1677-47-0
1H-Indole-2,3-dione, 4,5-dichloro-
1H-Indole-2,3-dione,4,5-dichloro-
4,5-Dichlorisatin
4,5-Dichloroindoline-2,3-dione
4,5-Dichloroisatin
4,5-dichloro-1H-indol-2,3-dione
4,5-dichloro-1H-indole-2,3-dione
4,5-dichloro-2,3-dihydro-1H-indole-2,3-dione
8556AA
AC1NOKZI
AC1Q3HQG
AKOS015850110
ANW-58782
BDBM22829
CHEMBL385799
CTK4D2746
DTXSID90408697
FCH1330653
Isatin-based compound, 49
KB-35588
MCULE-6649049490
MolPort-001-828-451
QC-9708
SCHEMBL734955
SY030680
WWSWHYAXEFLETD-UHFFFAOYSA-N
ZINC4530445
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Structure
Formula
C8H3Cl2NO2
Molecular Weight
216.023
Canonical SMILES
Clc1ccc2NC(=O)C(=O)c2c1Cl
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InChI
InChI=1S/C8H3Cl2NO2/c9-3-1-2-4-5(6(3)10)7(12)8(13)11-4/h1-2H,(H,11,12,13)
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InChIKey
WWSWHYAXEFLETD-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).

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PubChem ID
CID: 5139980
ChEMBL ID
CHEMBL385799
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 = 3020 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4,5-dichloro-1H-indole-2,3-dione )
Drug Name 4,5-dichloro-1H-indole-2,3-dione
Target(s)
Liver carboxylesterase (CES1)
Inhibitor