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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1830493
CHEMBL1830493
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C43H48BF2N5O5S

Additional synonyms for CHEMBL1830493 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/C43H48BF2N5O5S/c1-2-9-33-10-5-6-11-40(33)56-30-37(5 ...
Download InChI
Standard InChI Key IMRFACHFIDBCFZ-WPVGIGHWSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1830493

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
795.8 795.3437 - - - -


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 14 structural alerts for CHEMBL1830493. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IMRFACHFIDBCFZ-WPVGIGHWSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1830493



BindingDB 50423825
PubChem 54757129
PubChem: Thomson Pharma 131483744
ZINC ZINC000170181582

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