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3,4-dichloro-5-phenylfuran-2(5H)-one

ID: ALA4462961

Chembl Id: CHEMBL4462961

Cas Number: 72857-85-3

PubChem CID: 2727802

Max Phase: Preclinical

Molecular Formula: C10H6Cl2O2

Molecular Weight: 229.06

Molecule Type: Unknown

Associated Items:

Names and Identifiers

Canonical SMILES:  O=C1OC(c2ccccc2)C(Cl)=C1Cl

Standard InChI:  InChI=1S/C10H6Cl2O2/c11-7-8(12)10(13)14-9(7)6-4-2-1-3-5-6/h1-5,9H

Standard InChI Key:  DCZUHULHKRPPLT-UHFFFAOYSA-N

Alternative Forms

Associated Targets(non-human)

MAC13 (45 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAC16 (28 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: UnknownTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Calculated Properties

Molecular Weight: 229.06Molecular Weight (Monoisotopic): 227.9745AlogP: 2.97#Rotatable Bonds: 1
Polar Surface Area: 26.30Molecular Species: NEUTRALHBA: 2HBD:
#RO5 Violations: HBA (Lipinski): 2HBD (Lipinski): #RO5 Violations (Lipinski):
CX Acidic pKa: 12.26CX Basic pKa: CX LogP: 2.95CX LogD: 2.95
Aromatic Rings: 1Heavy Atoms: 14QED Weighted: 0.69Np Likeness Score: 0.24

References

1. Husain A, Khan SA, Iram F, Iqbal MA, Asif M..  (2019)  Insights into the chemistry and therapeutic potential of furanones: A versatile pharmacophore.,  171  [PMID:30909021] [10.1016/j.ejmech.2019.03.021]

Source