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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2392908
CHEMBL2392908
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H31BrClN7O

Additional synonyms for CHEMBL2392908 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nc(nc(NC[C@H](NC(=O)CCCN2CCNCC2)c3ccccc3)c1Cl)c4ccc(Br)cn ...
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Standard InChI InChI=1S/C26H31BrClN7O/c1-18-24(28)26(34-25(32-18)21-10-9-20 ...
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Standard InChI Key LQYXBGTXPLGZCE-QFIPXVFZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2392908

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
572.9 571.1462 4.22 10 95.07 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 1 8 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.21 3.64 1.83 3 36 0.33

Structural Alerts

There are 3 structural alerts for CHEMBL2392908. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LQYXBGTXPLGZCE-QFIPXVFZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2392908



BindingDB 50435209
PubChem 68347057
PubChem: Thomson Pharma 163684542
SureChEMBL SCHEMBL12674358
ZINC ZINC000096271228

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