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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL148098
CHEMBL148098
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H33FN4O4S

Additional synonyms for CHEMBL148098 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN1C(=O)N(CCCCCc2ccc(cc2)S(=O)(=O)F)c3[nH]c(nc3C1=O)C4CCCC ...
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Standard InChI InChI=1S/C25H33FN4O4S/c1-2-16-30-24(31)21-23(28-22(27-21)19- ...
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Standard InChI Key MIRSNUJPURWAGL-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL148098

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
504.6 504.2207 4.42 10 106.82 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 1 8 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.97 2.13 6.89 6.88 3 35 0.33

Structural Alerts

There are 15 structural alerts for CHEMBL148098. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MIRSNUJPURWAGL-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL148098



BindingDB 50095603
Nikkaji J1.473.392B
PubChem 10744124
PubChem: Thomson Pharma 15780454
ZINC ZINC000036123980

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