ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL306157
CHEMBL306157
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H30F2N4O5S2

Additional synonyms for CHEMBL306157 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCc1nc(SC(F)F)c(C(=O)O)n1Cc2ccc(cc2)c3ccccc3S(=O)(=O)NC(=O ...
Download SMILES
Standard InChI InChI=1S/C26H30F2N4O5S2/c1-3-5-10-21-30-23(38-25(27)28)22(24 ...
Download InChI
Standard InChI Key HVPRRLROFBQZMX-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL306157

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
580.7 580.1626 5.35 13 130.39 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 2 9 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.69 4.21 5.15 1.01 3 39 0.23

Structural Alerts

There are 2 structural alerts for CHEMBL306157. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HVPRRLROFBQZMX-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL306157



PubChem 10008410
PubChem: Thomson Pharma 14988275
ZINC ZINC000026400478

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