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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL75274
CHEMBL75274
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C34H42N4

Additional synonyms for CHEMBL75274 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C(CCCCNc1c2CCCCc2nc3ccccc13)CCCNc4c5CCCCc5nc6ccccc46
Standard InChI InChI=1S/C34H42N4/c1(3-13-23-35-33-25-15-5-9-19-29(25)37-30- ...
Download InChI
Standard InChI Key ZIDVXYDWJIVBSC-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL75274

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
506.7 506.3409 8.41 11 49.84 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 2 4 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.4 8.34 5.79 4 38 0.2

Structural Alerts

There are 7 structural alerts for CHEMBL75274. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZIDVXYDWJIVBSC-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL75274



BindingDB 8964
Nikkaji J776.169D
PubChem 10625415
PubChem: Thomson Pharma 15655882
SureChEMBL SCHEMBL12059555
ZINC ZINC000013473789

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