ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1631064
CHEMBL1631064
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C35H47N5O5

Additional synonyms for CHEMBL1631064 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CN2CN(c3ccccc3)C4(CCN(CC4)C(=O) ...
Download SMILES
Standard InChI InChI=1S/C35H47N5O5/c1-33(2,3)27-14-12-26(13-15-27)30(42)37- ...
Download InChI
Standard InChI Key YUAYIXDOZFBVPT-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1631064

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
617.8 617.3577 3.62 7 93.71 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 0 1 10 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .66 4.89 4.89 2 45 0.47

Structural Alerts

There are 2 structural alerts for CHEMBL1631064. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YUAYIXDOZFBVPT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1631064



BindingDB 50332437
PubChem 53322580
ZINC ZINC000066258377

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