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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL144360
CHEMBL144360
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H30FN5O5S

Additional synonyms for CHEMBL144360 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN1C(=O)N(CCCNC(=O)c2ccc(cc2)S(=O)(=O)F)c3[nH]c(nc3C1=O)C4 ...
Download SMILES
Standard InChI InChI=1S/C24H30FN5O5S/c1-2-14-30-23(32)19-21(28-20(27-19)16- ...
Download InChI
Standard InChI Key KAJVJPLKXGLLDA-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL144360

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
519.6 519.1952 2.82 9 135.92 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 2 1 10 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.79 2.05 4.82 4.8 3 36 0.33

Structural Alerts

There are 16 structural alerts for CHEMBL144360. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KAJVJPLKXGLLDA-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL144360



BindingDB 50095604
Guide to Pharmacology 9530
Nikkaji J1.473.394I
PDBe DU1
PubChem 10839674
PubChem: Thomson Pharma 15881130
ZINC ZINC000036113832

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