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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL312490
CHEMBL312490
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C43H65N5O10

Additional synonyms for CHEMBL312490 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](OC2O[C@H](C)C[C@@H ...
Download SMILES
Standard InChI InChI=1S/C43H65N5O10/c1-12-33-43(8)37(48(41(53)58-43)19-14-1 ...
Download InChI
Standard InChI Key LJVAJPDWBABPEJ-NCBYUSOJSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL312490

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
812 811.4731 4.93 11 171.85 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
14 1 2 15 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.85 8.13 5.22 4.49 2 58 0.18

Structural Alerts

There are 5 structural alerts for CHEMBL312490. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LJVAJPDWBABPEJ-NCBYUSOJSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL312490



PubChem 44317862

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