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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2441597
CHEMBL2441597
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H23F6N3O4

Additional synonyms for CHEMBL2441597 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(cc1)C2=C(C(=O)Nc3oncc3)C(=O)N[C@@](C2)(c4ccc(OCCCC(F) ...
Download SMILES
Standard InChI InChI=1S/C27H23F6N3O4/c1-16-3-5-17(6-4-16)20-15-25(27(31,32) ...
Download InChI
Standard InChI Key FFDGBYCTZXREGP-VWLOTQADSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2441597

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
567.5 567.1593 6.07 8 93.46 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 2 7 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.67 - 3.26 3.26 3 40 0.2

Structural Alerts

There are 3 structural alerts for CHEMBL2441597. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FFDGBYCTZXREGP-VWLOTQADSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2441597



BindingDB 50442175
PubChem 73355636
ZINC ZINC000096285843

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