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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3288854
CHEMBL3288854
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H28FN5O2

Additional synonyms for CHEMBL3288854 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCN(CCC(=O)Nc2c(C)[nH]c(\C=C\3/C(=O)Nc4ccc(F)cc34)c2C)CC1
Standard InChI InChI=1S/C23H28FN5O2/c1-14-20(13-18-17-12-16(24)4-5-19(17)26 ...
Download InChI
Standard InChI Key NSKYYUZMAXEZIR-AQTBWJFISA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3288854

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
425.5 425.2227 2.84 5 80.47 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.69 7.63 .33 -.14 2 31 0.64

Structural Alerts

There are 3 structural alerts for CHEMBL3288854. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NSKYYUZMAXEZIR-AQTBWJFISA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3288854



BindingDB 50020310
PubChem 54759606
PubChem: Thomson Pharma 131523772
SureChEMBL SCHEMBL14854635
ZINC ZINC000072318830

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