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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL490121
CHEMBL490121
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H27F6N2PSe

Additional synonyms for CHEMBL490121 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[N+](=C1C=CC2=C(c3ccccc3)c4cc5CCCN6CCCc(c4[Se]C2=C1)c56)C.F ...
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Standard InChI InChI=1S/C27H27N2Se.F6P/c1-28(2)20-12-13-21-24(17-20)30-27-2 ...
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Standard InChI Key PRBLWUOKOUWPIK-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL490121

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
458.5 459.1334 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL490121

Compound Cross References

ChemSpider ChemSpider:PRBLWUOKOUWPIK-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL490121



Brenda 24920 144756
PubChem 16062854
PubChem: Thomson Pharma 24704111

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