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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL209597
CHEMBL209597
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H16ClF2N5O

Additional synonyms for CHEMBL209597 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCn1c(Nc2ccc(C)cc2Cl)nc3cnc(Oc4c(F)cccc4F)nc13
Standard InChI InChI=1S/C20H16ClF2N5O/c1-3-28-18-16(26-19(28)25-15-8-7-11(2 ...
Download InChI
Standard InChI Key FASGCMDUPJVZTG-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL209597

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
415.8 415.1011 5.62 5 64.86 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.21 4.23 4.23 4 29 0.46

Structural Alerts

There are no structural alerts for CHEMBL209597

Compound Cross References

ChemSpider ChemSpider:FASGCMDUPJVZTG-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL209597



PubChem 44414887
ZINC ZINC000040565855

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