ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

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

Structural Alerts

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

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

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
ChEBI 51596
eMolecules 475190
FDA SRS 56NQM5UZT1
IBM Patent System C158E1FB7EDCEA6193A559D2BD7AB8A8
IBM Patents WO2008094502A1 US20100215755 US4207112 US20060216696 US5300114 US20100004210 US20040226056 US7282215 WO2010009342A2 US6593514 US20090280231 EP2229147A2 US20040224420 EP1021430A1 US20060021546 US6335361 US4375537 US20090047692 US20040261657 US6860931 EP0749324A1 WO1999030611A1 US20030125376 EP1317272B1 US7384623 US5019496 US6080516 US6377721 US5269931 US20060234248 EP1032837B1 EP2245166A1 US20040056255 WO2002087561A1 EP1311261A1 US20010025151 US4258129 US20030031676 US6706759 US20030087889 WO2006072175A1 WO2001032168A1 WO2010033838A1 US20090227634 EP1603543A1 US20070099845 EP1682898A2 EP2111391A1 WO2006001925A1 WO1995024219A1 WO2010019225A1 US20080311035 US20060016369 US5475032 US20030124592 EP1166786A1 US20030164136 US7263778 US20050131217 US5579429 US20070275380 US20020115026 WO2009074937A1 US4945171 US6069167 EP1757923A2 US20060025388 US6291162 WO2006119353A2 EP1682904A2 EP2102653A1 US20100098679 EP1876448A1 EP0015767A1 US20030221477 EP0746757A1 US20090092664 US20020028471 WO2004000854A1 WO1999042809A1 EP1900824A1 US7157575 US7446188 US20070087363 US7476874 US6797521 WO2008094496A1 US6426362 EP1682896A2 WO2008054827A2 US7829497 US20020001567 US20060033910 EP2089391A2 WO2008080410A1 WO2002046728A1 WO2006119368A3 WO2010083537A2 US7732625 US20090298782
MolPort MolPort-003-925-237
Nikkaji J192.556C
PubChem 64944
PubChem: Thomson Pharma 14830536
SureChEMBL SCHEMBL157703
ZINC ZINC04261850

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