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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL96143
CHEMBL96143
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H28FNO5S

Additional synonyms for CHEMBL96143 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCc1cc(Oc2ccc(F)c(C)c2)ccc1OCCCOc3cccc(c3)C4SC(=O)NC4=O
Standard InChI InChI=1S/C28H28FNO5S/c1-3-6-19-16-23(35-22-9-11-24(29)18(2)1 ...
Download InChI
Standard InChI Key TVEAXARFLUXLEB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL96143

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
509.6 509.1672 6.75 11 73.86 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 2 6 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.97 - 8.07 6.73 3 36 0.29

Structural Alerts

There are 3 structural alerts for CHEMBL96143. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:TVEAXARFLUXLEB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL96143



Nikkaji J2.028.388B
PubChem 44327416

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