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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL524116
CHEMBL524116
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H13ClF4N4O3S

Additional synonyms for CHEMBL524116 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H](Nc1ncc(cc1Cl)C(=O)Nc2nc(cs2)c3cccc(c3F)C(F)(F)F)C(=O ...
Download SMILES
Standard InChI InChI=1S/C19H13ClF4N4O3S/c1-8(17(30)31)26-15-12(20)5-9(6-25- ...
Download InChI
Standard InChI Key CKUZRSZSEGTVJO-MRVPVSSYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL524116

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
488.9 488.0333 5.15 6 104.21 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 1 7 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.67 1.53 6.21 1.58 3 32 0.41

Structural Alerts

There are 2 structural alerts for CHEMBL524116. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CKUZRSZSEGTVJO-MRVPVSSYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL524116



BindingDB 50247935
PubChem 44564570
ZINC ZINC000034803098

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