General Information of the Compound
Compound ID
CP0275191
Compound Name
1-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1H-indole-2,3-dione
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Synonyms
1-(3,4-Dichlorobenzyl)-1H-indole-2,3-dione
1-(3,4-dichlorobenzyl)-1H-indole-2,3-dione
1-(3,4-dichlorobenzyl)indoline-2,3-dione
1-[(3,4-dichlorophenyl)methyl]indole-2,3-dione
1H-Indole-2,3-dione,1-[(3,4-dichlorophenyl)methyl]-
79183-19-0
AC1LYJSJ
AC1Q3JHQ
AOB2639
Apoptosis Activator 2
Apoptosis Activator II
ApoptosisActivator2
BDBM22796
CBMicro_042945
CHEBI:92273
CHEMBL375126
CTK5E6556
DTXSID30365533
EX-A147
HMS3651L12
Isatin-based compound, 16
J-503075
KS-00001DBG
MDK83190
MolPort-002-181-853
SCHEMBL5426477
SR-01000411093
Tocris-2098
cid_1901244
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Structure
Formula
C15H9Cl2NO2
Molecular Weight
306.148
Canonical SMILES
Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1Cl
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InChI
InChI=1S/C15H9Cl2NO2/c16-11-6-5-9(7-12(11)17)8-18-13-4-2-1-3-10(13)14(19)15(18)20/h1-7H,8H2
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InChIKey
KGRJPLRFGLMQMV-UHFFFAOYSA-N
CAS
79183-19-0
Physicochemical Property
logP
3.7229
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
37.38
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
20

"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: 1901244
SID: 14825483
ChEMBL ID
CHEMBL375126
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 = 31 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-(3,4-dichlorobenzyl)-1H-indole-2,3-dione )
Drug Name 1-(3,4-dichlorobenzyl)-1H-indole-2,3-dione
Target(s)
Cholinesterase (BCHE)
 Target Info 
Inhibitor
Liver carboxylesterase (CES1)
 Target Info 
Inhibitor