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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1830485
CHEMBL1830485
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C44H46BF2N5O5S

Additional synonyms for CHEMBL1830485 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@@H](CNCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(=[N ...
Download SMILES
Standard InChI InChI=1S/C44H46BF2N5O5S/c46-45(47)51-34(18-19-35(51)28-36-20 ...
Download InChI
Standard InChI Key MPRJMBOFZVZMFC-WPVGIGHWSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1830485

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
805.8 805.3281 - - - -


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 CHEMBL1830485

Compound Cross References

ChemSpider ChemSpider:MPRJMBOFZVZMFC-WPVGIGHWSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1830485



BindingDB 50423829
PubChem 54758417
PubChem: Thomson Pharma 131485053
ZINC ZINC000170181621

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