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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1631065
CHEMBL1631065
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C37H49N5O5

Additional synonyms for CHEMBL1631065 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) ...
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Standard InChI InChI=1S/C37H49N5O5/c1-36(2,3)47-35(46)40-24-22-38(23-25-40) ...
Download InChI
Standard InChI Key IFUJBYWWWUFTAU-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1631065

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
643.8 643.3734 4.41 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
- .65 5.59 5.59 2 47 0.44

Structural Alerts

There are 2 structural alerts for CHEMBL1631065. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IFUJBYWWWUFTAU-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1631065



BindingDB 50332438
PubChem 53321636
ZINC ZINC000066258378

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