Details of the Drug

General Information of Drug (ID: DMEVK5F)

Drug Name

4,7-dichloro-1H-indole-2,3-dione

Synonyms

4,7-Dichloroisatin; 18711-13-2; 4,7-dichloroindoline-2,3-dione; 4,7-dichloro-1H-indole-2,3-dione; 4,7-dichloro isatin; 4,7-dichloro-isatin; 4,7-dichloro-2,3-dihydro-1H-indole-2,3-dione; 1H-Indole-2,3-dione, 4,7-dichloro-; 4,7-dichloroisatin;; 4,7-dichloroisatine;; AC1MC1Y2; Isatin-based compound, 51; ACMC-1C3I3; 4,7-Dichloroisatin, 97%; KSC494I6J; SCHEMBL281619; CHEMBL223039; 4,7-Dichloroindole-2,3-dione; CTK3J4464; BDBM22831; DTXSID90370507; 4,7-Dichloro-2,3-indolinedione; MolPort-001-766-630; 4,7-Dichloroindole-2,3-dione;

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

216.02

Logarithm of the Partition Coefficient (xlogp)

2

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C8H3Cl2NO2
IUPAC Name: 4,7-dichloro-1H-indole-2,3-dione
Canonical SMILES: C1=CC(=C2C(=C1Cl)C(=O)C(=O)N2)Cl
InChI: InChI=1S/C8H3Cl2NO2/c9-3-1-2-4(10)6-5(3)7(12)8(13)11-6/h1-2H,(H,11,12,13)
InChIKey: NUXYYWOWNFEMNH-UHFFFAOYSA-N