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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1830487
CHEMBL1830487
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C50H58BF2N5O5S

Additional synonyms for CHEMBL1830487 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@@H](CNCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C= ...
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Standard InChI InChI=1S/C50H58BF2N5O5S/c52-51(53)57-40(24-25-41(57)34-42-26 ...
Download InChI
Standard InChI Key SMVONLFCHHISHK-KRSGOESDSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1830487

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
889.9 889.422 - - - -


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 CHEMBL1830487

Compound Cross References

ChemSpider ChemSpider:SMVONLFCHHISHK-KRSGOESDSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1830487



BindingDB 50423820
PubChem 54756928
PubChem: Thomson Pharma 131483545
ZINC ZINC000170181589

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