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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1221600
CHEMBL1221600
Compound Name BISTRAMIDE A
ChEMBL Synonyms Bistramide A
Max Phase 0
Trade Names
Molecular Formula C40H68N2O8

Additional synonyms for CHEMBL1221600 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C\C=C\C(=O)C[C@H]1CC[C@H](C)[C@H](CC(=O)NC[C@H](O)[C@H](C)C( ...
Download SMILES
Standard InChI InChI=1S/C40H68N2O8/c1-8-11-32(44)23-34-17-15-27(3)37(48-34) ...
Download InChI
Standard InChI Key HXZRMADPDYFMEB-FTTMEYFSSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1221600

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
705 704.4976 5.33 18 143.42 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 4 2 10 4 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.79 - 5.06 5.06 0 50 0.09

Structural Alerts

There are 8 structural alerts for CHEMBL1221600. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HXZRMADPDYFMEB-FTTMEYFSSA-N
Wikipedia Bistramide_A

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1221600



PubChem 49864366
ZINC ZINC000082011714

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