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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1835857
CHEMBL1835857
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H45N3O7

Additional synonyms for CHEMBL1835857 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)O.NC(=O)NCc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2) ...
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Standard InChI InChI=1S/C27H41N3O5.C2H4O2/c28-27(34)30-18-22-10-7-9-21(16-2 ...
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Standard InChI Key CDLQLFAZAKCSJI-SNYZSRNZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1835857

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
487.6 487.3046 3.28 18 137.07 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 6 1 8 7 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.99 9.26 2.25 .41 2 35 0.18

Structural Alerts

There are 5 structural alerts for CHEMBL1835857. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CDLQLFAZAKCSJI-SNYZSRNZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1835857



PubChem 56658406
SureChEMBL SCHEMBL5456938

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