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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL500551
CHEMBL500551
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H35FN2O4

Additional synonyms for CHEMBL500551 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)N(C)[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]3[C@@H]([C@@H]( ...
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Standard InChI InChI=1S/C30H35FN2O4/c1-4-36-30(35)33(3)24-11-13-25-21(15-24 ...
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Standard InChI Key AWKCXFASCWWOOA-CSQMIITRSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL500551

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
506.6 506.2581 5.97 5 68.73 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 2 6 0 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.91 5.83 5.83 2 37 0.47

Structural Alerts

There are 2 structural alerts for CHEMBL500551. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AWKCXFASCWWOOA-CSQMIITRSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL500551



BindingDB 50261114
PubChem 24878930
PubChem: Thomson Pharma 50134352
SureChEMBL SCHEMBL13324646
ZINC ZINC000042807707

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