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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL502866
CHEMBL502866
Compound Name AGELIFERIN
ChEMBL Synonyms Ageliferin
Max Phase 0
Trade Names
Molecular Formula C26H26Br2F6N10O6

Additional synonyms for CHEMBL502866 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1nc(c[nH]1)[C@H]2[C@H](CNC(=O)c3cc(Br)c[nH]3)[C@@H](CNC(=O ...
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Standard InChI InChI=1S/C22H24Br2N10O2.2C2HF3O2/c23-10-2-14(27-5-10)19(35)2 ...
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Standard InChI Key DNQPQSFZLPZAIA-HHJICFAHSA-N

Structural Alerts

There are 3 structural alerts for CHEMBL502866. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL502866

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
620.3 618.045 1.75 7 199.18 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 8 2 12 10 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.84 8.33 2.12 .59 4 36 0.16

Compound Cross References

ChemSpider ChemSpider:DNQPQSFZLPZAIA-HHJICFAHSA-N
Wikipedia Ageliferin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL502866



PubChem 11513454 44575311
PubChem: Thomson Pharma 16615244

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