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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL26635
CHEMBL26635
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H27F2N7

Additional synonyms for CHEMBL26635 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc(CCN2CCN(CC2)c3nc(nc4c(C#N)c5CCCCn5c34)c6ccncc6)cc1F
Standard InChI InChI=1S/C28H27F2N7/c29-22-5-4-19(17-23(22)30)8-12-35-13-15- ...
Download InChI
Standard InChI Key LWMRNOHPZGMUEC-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL26635

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
499.6 499.2296 5.16 5 73.87 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 0 1 7 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.66 3.82 3.77 4 37 0.38

Structural Alerts

There are no structural alerts for CHEMBL26635

Compound Cross References

ChemSpider ChemSpider:LWMRNOHPZGMUEC-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL26635



BindingDB 50140804
PubChem 11454819
PubChem: Thomson Pharma 16553890
ZINC ZINC000013559639

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