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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2058915
CHEMBL2058915
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H30FN5O2

Additional synonyms for CHEMBL2058915 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc(CC2=NNC(=O)C3=C2NCCC3)cc1C(=O)N4CCN(CC4)C5CCCC5
Standard InChI InChI=1S/C24H30FN5O2/c25-20-8-7-16(15-21-22-18(6-3-9-26-22)2 ...
Download InChI
Standard InChI Key VTZGIBQZSWQQFS-UHFFFAOYSA-N

Sources

  • BindingDB Database
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2058915

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
439.5 439.2384 2.56 4 81.33 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.79 7.51 .73 .51 2 32 0.77

Structural Alerts

There are no structural alerts for CHEMBL2058915

Compound Cross References

ChemSpider ChemSpider:VTZGIBQZSWQQFS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2058915



BindingDB 50387934
IBM Patent System B3604F85F38DBB46BCBD95A725614FA7
PubChem 69320408
SureChEMBL SCHEMBL5124044
ZINC ZINC000084687545

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