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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL129463
CHEMBL129463
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C33H29FO7

Additional synonyms for CHEMBL129463 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCc1cc(c(O)cc1OCCCOc2ccc3C(=O)c4ccccc4Oc3c2CCC(=O)O)c5ccc(F) ...
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Standard InChI InChI=1S/C33H29FO7/c1-2-20-18-26(21-8-10-22(34)11-9-21)27(35 ...
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Standard InChI Key AGHWHQVSFVVCAO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL129463

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
556.6 556.1897 7.19 11 102.29 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 2 7 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.47 - 6.64 3.76 4 41 0.19

Structural Alerts

There are 2 structural alerts for CHEMBL129463. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AGHWHQVSFVVCAO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL129463



BindingDB 50029460
PubChem 9807782
PubChem: Thomson Pharma 14763909
ZINC ZINC000027313303

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