General Information of the Compound
Compound ID
CP0340186
Compound Name
5,7-dichloro-2,3-dihydro-1H-indole-2,3-dione
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Synonyms
1H-Indole-2,3-dione, 5,7-dichloro-
5,7-Dichloro-1H-indole-2,3-dione
5,7-Dichloroindoline-2,3-dione
5,7-Dichloroisatin
5,7-dichlor-1h-indol-2,3-dion
5,7-dichloro-1H-benzo[d]azolidine-2,3-dione
5,7-dichloro-1H-indole-2,3-dione
5,7-dichloro-2,3-dihydro-1H-indole-2,3-dione
6374-92-1
AC1Q3I9X
AC1Q3MQY
ACMC-1B7TC
AYGGQJHJRFZDFH-UHFFFAOYSA-N
CBDivE_012174
Cambridge id 5228213
EINECS 228-928-3
Indole-2,3-dione, 5,7-dichloro-
Isatin, 5,7-dichloro-
Isatin,7-dichloro-
Isatin-based compound, 53
MLS002639083
NCIMech_000038
NSC26045
PubChem22561
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Structure
Formula
C8H3Cl2NO2
Molecular Weight
216.023
Canonical SMILES
Clc1cc2C(=O)C(=O)Nc2c(Cl)c1
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InChI
InChI=1S/C8H3Cl2NO2/c9-3-1-4-6(5(10)2-3)11-8(13)7(4)12/h1-2H,(H,11,12,13)
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InChIKey
AYGGQJHJRFZDFH-UHFFFAOYSA-N
CAS
6374-92-1
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: 80771
ChEMBL ID
CHEMBL374740
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: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 32642.7 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 = 3520 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 5,7-dichloro-1H-indole-2,3-dione )
Drug Name 5,7-dichloro-1H-indole-2,3-dione
Target(s)
Liver carboxylesterase (CES1)
 Target Info 
Inhibitor