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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1835858
CHEMBL1835858
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C31H49N3O7

Additional synonyms for CHEMBL1835858 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCNC(=O)NCc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1.CC( ...
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Standard InChI InChI=1S/C29H45N3O5.C2H4O2/c1-2-31-29(36)32-20-24-12-9-11-23 ...
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Standard InChI Key DGKFZLACNWTHNL-JCOPYZAKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1835858

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
515.7 515.3359 3.93 19 123.08 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 6 2 8 6 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.99 9.26 3.01 1.17 2 37 0.16

Structural Alerts

There are 5 structural alerts for CHEMBL1835858. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DGKFZLACNWTHNL-JCOPYZAKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1835858



PubChem 56672268
SureChEMBL SCHEMBL5450470

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