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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL321218
CHEMBL321218
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H28FN5O5S

Additional synonyms for CHEMBL321218 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/C23H28FN5O5S/c1-2-13-29-22(31)18-20(27-19(26-18)15- ...
Download InChI
Standard InChI Key STSWKOTUOJVWJD-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL321218

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
505.6 505.1795 2.43 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 4.29 4.28 3 35 0.34

Structural Alerts

There are 16 structural alerts for CHEMBL321218. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:STSWKOTUOJVWJD-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL321218



BindingDB 50095602
Nikkaji J1.473.393K
PubChem 10368871
PubChem: Thomson Pharma 15382408
ZINC ZINC000036113808

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