Details of the Drug

General Information of Drug (ID: DMX94EK)

Drug Name

4,5-dichloro-1H-indole-2,3-dione

Synonyms

4,5-Dichloroisatin; 1677-47-0; 4,5-dichloro-1H-indole-2,3-dione; 4,5-Dichloroindoline-2,3-dione; 1H-Indole-2,3-dione, 4,5-dichloro-; 4,5-dichloro-2,3-dihydro-1H-indole-2,3-dione; 4,5-Dichlorisatin; AC1NOKZI; AC1Q3HQG; Isatin-based compound, 49; SCHEMBL734955; CHEMBL385799; CTK4D2746; BDBM22829; DTXSID90408697; MolPort-001-828-451; WWSWHYAXEFLETD-UHFFFAOYSA-N; ZINC4530445; 8556AA; 4,5-dichloro-1H-indol-2,3-dione; ANW-58782; AKOS015850110; FCH1330653; 1H-Indole-2,3-dione,4,5-dichloro-; QC-9708; MCULE-6649049490; KB-35588; SY030680

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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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: 4,5-dichloro-1H-indole-2,3-dione
Canonical SMILES: C1=CC(=C(C2=C1NC(=O)C2=O)Cl)Cl
InChI: InChI=1S/C8H3Cl2NO2/c9-3-1-2-4-5(6(3)10)7(12)8(13)11-4/h1-2H,(H,11,12,13)
InChIKey: WWSWHYAXEFLETD-UHFFFAOYSA-N