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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL73576
CHEMBL73576
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H26FNO7

Additional synonyms for CHEMBL73576 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)C(Nc4ccc(F)cc4)c ...
Download SMILES
Standard InChI InChI=1S/C27H26FNO7/c1-33-21-8-13(9-22(34-2)26(21)35-3)23-16 ...
Download InChI
Standard InChI Key KHMMQNQHSNAUQR-UIIIGTGMSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL73576

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
495.5 495.1693 4.35 6 106.48 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 3 0 8 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.64 3.16 .31 .3 3 36 0.34

Structural Alerts

There are 3 structural alerts for CHEMBL73576. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KHMMQNQHSNAUQR-UIIIGTGMSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL73576



PubChem 44313721

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