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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL8828
CHEMBL8828
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H41FN2O4

Additional synonyms for CHEMBL8828 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)c2ccc(F)cc2)C(=O)N[C@H](C(=O) ...
Download SMILES
Standard InChI InChI=1S/C30H41FN2O4/c1-6-7-8-24(29(36)37)19-23(27(34)33-26( ...
Download InChI
Standard InChI Key RTPXKIITNMOTOD-RMTZWNOUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL8828

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
512.7 512.305 6.3 14 95.5 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 2 6 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.6 - 6.18 3.4 2 37 0.28

Structural Alerts

There are 2 structural alerts for CHEMBL8828. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RTPXKIITNMOTOD-RMTZWNOUSA-N
Wikipedia Rhodamine_123

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL8828



BindingDB 50057074
Brenda 54397
Nikkaji J912.613I
PubChem 9806452
PubChem: Thomson Pharma 14762580
SureChEMBL SCHEMBL9249747
ZINC ZINC000003929214

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