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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3260567
CHEMBL3260567
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H18FN7

Additional synonyms for CHEMBL3260567 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cccc(n1)c2[nH]c(CNc3ccccc3F)nc2c4ccc5ncnn5c4
Standard InChI InChI=1S/C22H18FN7/c1-14-5-4-8-18(27-14)22-21(15-9-10-20-25- ...
Download InChI
Standard InChI Key FJCDSQATIJKQKA-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3260567

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
399.4 399.1608 4.24 5 83.79 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.3 .67 .48 5 30 0.46

Structural Alerts

There are no structural alerts for CHEMBL3260567

Compound Cross References

ChemSpider ChemSpider:FJCDSQATIJKQKA-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3260567



BindingDB 50015639
ChemicalBook CB42729651
FDA SRS 6T4O391P5Y
Guide to Pharmacology 8107
MolPort MolPort-046-417-273 MolPort-035-789-717
Nikkaji J3.334.789H
PubChem 54766013
PubChem: Thomson Pharma 131530595
SureChEMBL SCHEMBL250076
ZINC ZINC000113391423

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