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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1185241
CHEMBL1185241
Compound Name RHODAMINE 6G
ChEMBL Synonyms Rhodamine 6G
Max Phase 0
Trade Names
Molecular Formula C28H30N2O3

Additional synonyms for CHEMBL1185241 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCNc1cc2OC3=C\C(=N/CC)\C(=CC3=C(c4ccccc4C(=O)OCC)c2cc1C)C
Standard InChI InChI=1S/C28H30N2O3/c1-6-29-23-15-25-21(13-17(23)4)27(19-11- ...
Download InChI
Standard InChI Key IWWWBRIIGAXLCJ-BGABXYSRSA-N

Sources

  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL1185241

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
442.6 442.2256 6.35 6 63.83 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.89 7.86 6.54 2 33 0.28

Structural Alerts

There are 3 structural alerts for CHEMBL1185241. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IWWWBRIIGAXLCJ-BGABXYSRSA-N
Wikipedia Rhodamine_6G

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1185241



BindingDB 50336500
Mcule MCULE-3364484415
Nikkaji J144.415H
SureChEMBL SCHEMBL1495836
ZINC ZINC000003861461

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