ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL277817
CHEMBL277817
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C33H33N3O7

Additional synonyms for CHEMBL277817 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOCc1ccc2c(c1)c3c4CNC(=O)c4c5c6cc(COCC)ccc6n7[C@H]8C[C@](O) ...
Download SMILES
Standard InChI InChI=1S/C33H33N3O7/c1-5-41-15-17-7-9-22-19(11-17)26-27-21(1 ...
Download InChI
Standard InChI Key CVXZWDPKRAIHOI-KMYQRJGFSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL277817

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
583.6 583.2319 4.73 7 113.18 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 2 1 10 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.94 - 5.86 5.86 5 43 0.27

Structural Alerts

There are 2 structural alerts for CHEMBL277817. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CVXZWDPKRAIHOI-KMYQRJGFSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL277817



PubChem 10745853
PubChem: Thomson Pharma 15782163
ZINC ZINC000029309031

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