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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1830492
CHEMBL1830492
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C48H54BF2N5O7S

Additional synonyms for CHEMBL1830492 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(=[ ...
Download SMILES
Standard InChI InChI=1S/C48H54BF2N5O7S/c50-49(51)55-38(18-19-39(55)32-40-20 ...
Download InChI
Standard InChI Key WDAOLHBVTYRJBA-SAPNQHFASA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1830492

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
893.9 893.3805 - - - -


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 CHEMBL1830492

Compound Cross References

ChemSpider ChemSpider:WDAOLHBVTYRJBA-SAPNQHFASA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1830492



BindingDB 50423826
PubChem 54757126
PubChem: Thomson Pharma 131483741

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