General Information of the Compound
Compound ID
CP0104530
Compound Name
2,3-dioxo-2,3-dihydro-1H-indole-7-carboxylic acid
    Show/Hide
Synonyms
1H-INDOLE-7-CARBOXYLIC ACID, 2,3-DIHYDRO-2,3-DIOXO-
2,3-DIOXO-2,3-DIHYDRO-1H-INDOLE-7-CARBOXYLIC ACID
2,3-Dioxoindoline-7-carboxylicacid
2,3-dioxo-1H-benzo[d]azolidine-7-carboxylic acid
2,3-dioxo-1H-indole-7-carboxylic Acid
2,3-dioxoindoline-7-carboxylic acid
25128-35-2
7-isatincarboxylic acid
AC1MCVF6
AC1Q72QN
BDBM22826
CHEMBL375078
CTK1A1532
DTXSID00381427
Isatin-7-carboxylic acid
Isatin-based compound, 46
KS-00000FO0
MolPort-000-144-864
PubChem24310
ROODQCZSWXEDJL-UHFFFAOYSA-N
SCHEMBL1742133
ZINC2496760
    Show/Hide
Structure
Formula
C9H5NO4
Molecular Weight
191.142
Canonical SMILES
OC(=O)c1cccc2C(=O)C(=O)Nc12
    Show/Hide
InChI
InChI=1S/C9H5NO4/c11-7-4-2-1-3-5(9(13)14)6(4)10-8(7)12/h1-3H,(H,13,14)(H,10,11,12)
    Show/Hide
InChIKey
ROODQCZSWXEDJL-UHFFFAOYSA-N
Physicochemical Property
logP
0.5196
Rotatable Bonds
1
Heavy Atom Count
14
Polar Areas
83.47
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
14

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 2779383
SID: 16484239
ChEMBL ID
CHEMBL375078
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 > 100000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2,3-dioxoindoline-7-carboxylic acid )
Drug Name 2,3-dioxoindoline-7-carboxylic acid