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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1830621
CHEMBL1830621
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C46H53BF2N6O7S

Additional synonyms for CHEMBL1830621 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(=[ ...
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Standard InChI InChI=1S/C46H53BF2N6O7S/c48-47(49)54-35(14-15-36(54)30-37-16 ...
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Standard InChI Key GBEWRSJQTLMKTO-JLHYYAGUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1830621

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
882.8 882.3758 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL1830621

Compound Cross References

ChemSpider ChemSpider:GBEWRSJQTLMKTO-JLHYYAGUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1830621



BindingDB 50423822
PubChem 54758415
PubChem: Thomson Pharma 131485050

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