General Information of the Compound
Compound ID
CP0041636
Compound Name
1-methyl-2,3-dihydro-1H-indole-2,3-dione
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Synonyms
1 methylisatine
1-Methyl-1H-indole-2,3-dione
1-Methyl-2,3-dihydroindole-2,3-dione
1-Methyl-2,3-indolinedione
1-Methyl-indole-2,3-dione
1-Methylisatin
1-Methylisatin, 98%
1-methyl-1H-indole-2,3-dione
1-methyl-2,3-dihydro-1H-indole-2,3-dione
1-methylindole-2,3-dione
1-methylindoline-2,3-dione
1H-Indole-2,3-dione, 1-methyl-
2058-74-4
BRN 0128280
CHEMBL60569
EINECS 218-164-9
INDOLE-2,3-DIONE, 1-METHYL-
MFCD00005812
N-Methylindoline-2,3-dione
N-Methylisatin
N-methylindol-2,3-dione
NSC 42449
OL-57
VCYBVWFTGAZHGH-UHFFFAOYSA-N
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Structure
Formula
C9H7NO2
Molecular Weight
161.16
Canonical SMILES
CN1C(=O)C(=O)c2ccccc12
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InChI
InChI=1S/C9H7NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5H,1H3
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InChIKey
VCYBVWFTGAZHGH-UHFFFAOYSA-N
CAS
2058-74-4
Physicochemical Property
logP
0.8457
Rotatable Bonds
0
Heavy Atom Count
12
Polar Areas
37.38
Hydrogen Bond Donor Count
0
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: 16358
SID: 15120305
ChEMBL ID
CHEMBL60569
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 = 5380 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-methyl-1H-indole-2,3-dione )
Drug Name 1-methyl-1H-indole-2,3-dione
Target(s)
Liver carboxylesterase (CES1)
 Target Info 
Inhibitor