General Information of the Compound
Compound ID
CP0125598
Compound Name
7-chloro-2,3-dihydro-1H-indole-2,3-dione
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Synonyms
1H-INDOLE-2,3-DIONE, 7-CHLORO-
1H-Indole-2,3-dione,7-chloro-
7-Chloroindole-2,3-dione
7-Chloroisatin
7-Chloroisatin, 97%
7-chlorisatin
7-chloro isatin
7-chloro-1H-benzo[d]azolidine-2,3-dione
7-chloro-1H-indole-2,3-dione
7-chloro-2,3-dihydro-1H-indole-2,3-dione
7-chloro-2,3-indolinedione
7-chloro-indoline-2,3-dione
7-chloroindoline-2,3-dione
7477-63-6
AC1L7ZVK
AC1Q3HYB
AC1Q3KGY
ACMC-209zr4
CHEMBL222190
Isatin-based compound, 43
KSC640I8T
MFCD00022796
MLS003171490
NSC400868
PubChem15537
SCHEMBL1247382
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Structure
Formula
C8H4ClNO2
Molecular Weight
181.578
Canonical SMILES
Clc1cccc2C(=O)C(=O)Nc12
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InChI
InChI=1S/C8H4ClNO2/c9-5-3-1-2-4-6(5)10-8(12)7(4)11/h1-3H,(H,10,11,12)
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InChIKey
MPLXQMMMGDYXIT-UHFFFAOYSA-N
CAS
7477-63-6
Physicochemical Property
logP
1.4748
Rotatable Bonds
0
Heavy Atom Count
12
Polar Areas
46.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
12

"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: 344135
SID: 15243685
ChEMBL ID
CHEMBL222190
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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 29092.9 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
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 = 11400 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 7-chloro-1H-indole-2,3-dione )
Drug Name 7-chloro-1H-indole-2,3-dione
Target(s)
Liver carboxylesterase (CES1)
 Target Info 
Inhibitor