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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL569880
CHEMBL569880
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H24ClF2N5O4

Additional synonyms for CHEMBL569880 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1NC(=O)[C@@H]4CCCN4C(=O ...
Download SMILES
Standard InChI InChI=1S/C25H24ClF2N5O4/c1-3-21(34)33-8-4-5-19(33)25(35)32-1 ...
Download InChI
Standard InChI Key JTLHPKSZESHKCP-IBGZPJMESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL569880

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
531.9 531.1485 4.09 9 105.68 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 1 9 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.98 5.28 2.85 2.85 3 37 0.24

Structural Alerts

There are 9 structural alerts for CHEMBL569880. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JTLHPKSZESHKCP-IBGZPJMESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL569880



BindingDB 50300027
PubChem 24883334
PubChem: Thomson Pharma 50139110
SureChEMBL SCHEMBL4846380
ZINC ZINC000043178708

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