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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL484059
CHEMBL484059
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H28N4O2

Additional synonyms for CHEMBL484059 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1COc2ccc(CCN3CCN(CC3)c4cccc5nc(ccc45)c6ccccc6)cc2N1
Standard InChI InChI=1S/C29H28N4O2/c34-29-20-35-28-12-9-21(19-26(28)31-29)1 ...
Download InChI
Standard InChI Key ZSANFFXRVWPAJC-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL484059

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
464.6 464.2212 4.6 5 57.7 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.71 7.41 4.92 4.58 4 35 0.47

Structural Alerts

There are no structural alerts for CHEMBL484059

Compound Cross References

ChemSpider ChemSpider:ZSANFFXRVWPAJC-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL484059



BindingDB 50413083
IBM Patent System 04E1B42224414190C282E3B9338A1BA2
PubChem 10073139
PubChem: Thomson Pharma 15058570
SureChEMBL SCHEMBL2302319
ZINC ZINC000040937693

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