General Information of the Compound
Compound ID
CP0141262
Compound Name
4,6-dichloro-2,3-dihydro-1H-indole-2,3-dione
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Synonyms
18711-15-4
1H-Indole-2,3-dione,4,6-dichloro-
4,6-DICHLOROINDOLINE-2,3-DIONE
4,6-Dichloro-1H-indole-2,3-dione
4,6-Dichloro-2,3-indolinedione
4,6-Dichloroisatin
4,6-dichlorisatin
4,6-dichloro-1H-benzo[d]azoline-2,3-dione
4,6-dichloro-1H-indole-2,3-dione
4,6-dichloro-2,3-dihydro-1H-indole-2,3-dione
4,6-dichloroindolin-2,3-dione
AC1L5KVQ
AC1Q3MQL
ACT09176
BDBM22830
CGCVHJCZBIYRQC-UHFFFAOYSA-N
CHEMBL385800
CTK4D9417
DTXSID60291058
Isatin-based compound, 50
Jsp003834
KS-00000J1A
MolPort-001-969-148
NSC72897
SCHEMBL124586
ZERO/005650
ZINC1698777
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Structure
Formula
C8H3Cl2NO2
Molecular Weight
216.023
Canonical SMILES
Clc1cc2NC(=O)C(=O)c2c(Cl)c1
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InChI
InChI=1S/C8H3Cl2NO2/c9-3-1-4(10)6-5(2-3)11-8(13)7(6)12/h1-2H,(H,11,12,13)
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InChIKey
CGCVHJCZBIYRQC-UHFFFAOYSA-N
CAS
18711-15-4
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: 251908
ChEMBL ID
CHEMBL385800
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 = 890 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4,6-dichloro-1H-indole-2,3-dione )
Drug Name 4,6-dichloro-1H-indole-2,3-dione
Target(s)
Liver carboxylesterase (CES1)
 Target Info 
Inhibitor