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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1830618
CHEMBL1830618
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C47H56BF2N5O7S

Additional synonyms for CHEMBL1830618 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@@H](CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C= ...
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Standard InChI InChI=1S/C47H56BF2N5O7S/c1-2-9-37-10-5-6-11-44(37)62-34-41(5 ...
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Standard InChI Key IKDADGNGNUKYHI-QLCFTWLVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1830618

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
883.9 883.3962 - - - -


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 CHEMBL1830618

Compound Cross References

ChemSpider ChemSpider:IKDADGNGNUKYHI-QLCFTWLVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1830618



BindingDB 50423824
PubChem 54757232
PubChem: Thomson Pharma 131483852
ZINC ZINC000170181576

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