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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1276890
CHEMBL1276890
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H25FN4O2

Additional synonyms for CHEMBL1276890 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1c(\C=C\2/C(=O)Nc3ccc(F)cc23)[nH]c4CCN(CCN5CCCC5)C(=O)c14
Standard InChI InChI=1S/C23H25FN4O2/c1-14-20(13-17-16-12-15(24)4-5-18(16)26 ...
Download InChI
Standard InChI Key QJOMTUGNMKUBCP-LGMDPLHJSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1276890

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
408.5 408.1962 3.05 4 68.44 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.73 9.09 1.12 -.52 2 30 0.76

Structural Alerts

There are 3 structural alerts for CHEMBL1276890. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QJOMTUGNMKUBCP-LGMDPLHJSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1276890



BindingDB 50331027
PubChem 24742584
PubChem: Thomson Pharma 49636192
SureChEMBL SCHEMBL139947
ZINC ZINC000064453604

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