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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL28168
CHEMBL28168
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H23F2N7

Additional synonyms for CHEMBL28168 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc(C#N)c2c3ncnc(N4CCN(CCc5ccc(F)c(F)c5)CC4)c3n(C)c2n1
Standard InChI InChI=1S/C24H23F2N7/c1-15-11-17(13-27)20-21-22(31(2)23(20)30 ...
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Standard InChI Key MECOLUCWZLXWNX-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL28168

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
447.5 447.1983 4.36 4 73.86 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 0 0 7 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.65 2 1.96 4 33 0.46

Structural Alerts

There are 1 structural alerts for CHEMBL28168. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MECOLUCWZLXWNX-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL28168



BindingDB 50140844
PubChem 11453657
PubChem: Thomson Pharma 16552713
ZINC ZINC000013559682

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