ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL282206
CHEMBL282206
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H35N5O7

Additional synonyms for CHEMBL282206 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(\C=C\c2nc3N(C)C(=O)N(C)C(=O)c3n2C)cc(OC)c1OC\C=C\CNC( ...
Download SMILES
Standard InChI InChI=1S/C27H35N5O7/c1-27(2,3)39-25(34)28-13-9-10-14-38-22-1 ...
Download InChI
Standard InChI Key IXODIILSAZBDLI-HULFFUFUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL282206

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
541.6 541.2536 2.62 9 127.84 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 1 2 12 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12 .2 2.37 2.37 3 39 0.41

Structural Alerts

There are 7 structural alerts for CHEMBL282206. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IXODIILSAZBDLI-HULFFUFUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL282206



Nikkaji J551.308A
PubChem 10482440
PubChem: Thomson Pharma 15506336
SureChEMBL SCHEMBL5142830
ZINC ZINC000028763614

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