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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL338755
CHEMBL338755
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C33H41N5

Additional synonyms for CHEMBL338755 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(CCCNc1c2CCCCc2nc3ccccc13)CCCNc4c5CCCCc5nc6ccccc46
Standard InChI InChI=1S/C33H41N5/c1-38(22-10-20-34-32-24-12-2-6-16-28(24)36 ...
Download InChI
Standard InChI Key DYTNXFSVOOZIHV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL338755

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
507.7 507.3362 6.78 10 53.08 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 2 5 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.41 6.13 2.03 4 38 0.23

Structural Alerts

There are 2 structural alerts for CHEMBL338755. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DYTNXFSVOOZIHV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL338755



BindingDB 8965
PubChem 10481357
PubChem: Thomson Pharma 15505264
SureChEMBL SCHEMBL15167949
ZINC ZINC000013492739

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