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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL339709
CHEMBL339709
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C35H38N4O4

Additional synonyms for CHEMBL339709 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCN1C(=O)N(Cc2ccc3ccccc3c2)\C(=C/c4cnc(CCCC)n4Cc5ccc(cc5)C ...
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Standard InChI InChI=1S/C35H38N4O4/c1-4-6-12-32-36-22-30(38(32)23-25-13-17- ...
Download InChI
Standard InChI Key WVOPASLTPNSNDT-YQYKVWLJSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL339709

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
578.7 578.2893 6.82 12 84.74 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 0 2 8 0 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.56 5.77 5.77 4 43 0.1

Structural Alerts

There are 4 structural alerts for CHEMBL339709. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WVOPASLTPNSNDT-YQYKVWLJSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL339709



Nikkaji J696.733G
PubChem 11757908
PubChem: Thomson Pharma 16865694
SureChEMBL SCHEMBL9398105
ZINC ZINC000027210559

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