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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL511439
CHEMBL511439
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H40N2O7

Additional synonyms for CHEMBL511439 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CO[C@H]1C[C@H](C)Cc2cc(NC(=O)\C(=C\C=C/[C@H](OC)[C@@H](OC(=O ...
Download SMILES
Standard InChI InChI=1S/C28H40N2O7/c1-16-12-20-15-21(10-11-22(20)31)30-27(3 ...
Download InChI
Standard InChI Key FOTHSRVGKSQOSD-XJQIMXLASA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL511439

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
516.6 516.2836 3.85 3 140.34 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 4 1 9 5 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.33 1.82 1.85 1.85 1 37 0.35

Structural Alerts

There are 4 structural alerts for CHEMBL511439. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FOTHSRVGKSQOSD-XJQIMXLASA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL511439



PubChem 24992372
PubChem: Thomson Pharma 56334324
SureChEMBL SCHEMBL13009114
ZINC ZINC000042851008

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