General Information of the Compound
Compound ID
CP0112751
Compound Name
1-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2,3-dione
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Synonyms
1-(4-Chlorobenzyl)-1H-indole-2,3-dione
1-(4-Chlorobenzyl)indoline-2,3-dione
1-(4-chloro-benzyl)-1h-indole-2,3-dione
1-(4-chlorobenzyl)-1H-indole-2,3-dione
1-(4-chlorobenzyl)-isatin
1-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2,3-dione
1-[(4-chlorophenyl)methyl]benzo[d]azolidine-2,3-dione
1-[(4-chlorophenyl)methyl]indole-2,3-dione
26960-66-7
4-chlorobenzylisatin
AC1L5N5R
AC1Q3JHO
AC1Q3JHP
AC1Q3NUX
BDBM22795
CBMicro_042181
CHEMBL376291
CTK4F8812
Cambridge id 6046772
Isatin-based compound, 15
KS-00001RNX
NSC 127077
NSC127077
SCHEMBL3027106
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Structure
Formula
C15H10ClNO2
Molecular Weight
271.703
Canonical SMILES
Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1
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InChI
InChI=1S/C15H10ClNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2
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InChIKey
VEBLIIOSJXGVAW-UHFFFAOYSA-N
CAS
26960-66-7
Physicochemical Property
logP
3.0695
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
37.38
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 277990
ChEMBL ID
CHEMBL376291
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 = 25 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 25 nM
Clinical Information about the Compound
Drug 1 ( 1-(4-chlorobenzyl)-1H-indole-2,3-dione )
Drug Name 1-(4-chlorobenzyl)-1H-indole-2,3-dione
Target(s)
Liver carboxylesterase (CES1)
 Target Info 
Inhibitor