General Information of the Compound
Compound ID
CP0297233
Compound Name
4,7-dichloro-2,3-dihydro-1H-indole-2,3-dione
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Synonyms
18711-13-2
1H-Indole-2,3-dione, 4,7-dichloro-
4,7-Dichloro-2,3-indolinedione
4,7-Dichloroindole-2,3-dione
4,7-Dichloroindole-2,3-dione;
4,7-Dichloroisatin
4,7-Dichloroisatin, 97%
4,7-dichloro isatin
4,7-dichloro-1H-indole-2,3-dione
4,7-dichloro-2,3-dihydro-1H-indole-2,3-dione
4,7-dichloro-isatin
4,7-dichloroindoline-2,3-dione
4,7-dichloroisatin;
4,7-dichloroisatine;
AC1MC1Y2
ACMC-1C3I3
BDBM22831
CHEMBL223039
CTK3J4464
DTXSID90370507
Isatin-based compound, 51
KSC494I6J
MolPort-001-766-630
SCHEMBL281619
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Structure
Formula
C8H3Cl2NO2
Molecular Weight
216.023
Canonical SMILES
Clc1ccc(Cl)c2C(=O)C(=O)Nc12
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InChI
InChI=1S/C8H3Cl2NO2/c9-3-1-2-4(10)6-5(3)7(12)8(13)11-6/h1-2H,(H,11,12,13)
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InChIKey
NUXYYWOWNFEMNH-UHFFFAOYSA-N
CAS
18711-13-2
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: 2734793
ChEMBL ID
CHEMBL223039
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 590 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4,7-dichloro-1H-indole-2,3-dione )
Drug Name 4,7-dichloro-1H-indole-2,3-dione
Target(s)
Liver carboxylesterase (CES1)
 Target Info 
Inhibitor