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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1908059
CHEMBL1908059
Compound Name DICHLOROFLUORESCEIN
ChEMBL Synonyms Dichlorofluorescein
Max Phase 0
Trade Names
Molecular Formula C20H10Cl2O5

Additional synonyms for CHEMBL1908059 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1cc2Oc3cc(O)c(Cl)cc3C4(OC(=O)c5ccccc45)c2cc1Cl
Standard InChI InChI=1S/C20H10Cl2O5/c21-13-5-11-17(7-15(13)23)26-18-8-16(24 ...
Download InChI
Standard InChI Key VFNKZQNIXUFLBC-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1908059

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
401.2 399.9905 5.07 0 75.99 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 1 5 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.1 - 2.46 2.38 3 27 0.52

Structural Alerts

There are 3 structural alerts for CHEMBL1908059. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VFNKZQNIXUFLBC-UHFFFAOYSA-N
Wikipedia Dichlorofluorescein

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1908059



ACToR 116189-73-2 76-54-0
Brenda 163847
ChEBI 51596
eMolecules 475190
EPA CompTox Dashboard DTXSID8058798
FDA SRS 56NQM5UZT1
IBM Patent System C158E1FB7EDCEA6193A559D2BD7AB8A8
Mcule MCULE-3756364265
MolPort MolPort-003-925-237
Nikkaji J192.556C
PubChem 64944
PubChem: Thomson Pharma 14830536
SureChEMBL SCHEMBL157703
ZINC ZINC000004261850

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/VFNKZQNIXUFLBC-UHFFFAOYSA-N spacer
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