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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL147156
CHEMBL147156
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H29FN4O4S

Additional synonyms for CHEMBL147156 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN1C(=O)N(CCCc2ccc(cc2)S(=O)(=O)F)c3[nH]c(nc3C1=O)C4CCCCC4
Standard InChI InChI=1S/C23H29FN4O4S/c1-2-14-28-22(29)19-21(26-20(25-19)17- ...
Download InChI
Standard InChI Key FBWBTGGYCPTOPB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL147156

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
476.6 476.1894 3.64 8 106.82 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 0 8 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.86 2.08 5.94 5.92 3 33 0.5

Structural Alerts

There are 14 structural alerts for CHEMBL147156. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FBWBTGGYCPTOPB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL147156



BindingDB 50095605
Nikkaji J1.473.391D
PubChem 10766957
PubChem: Thomson Pharma 15804541
ZINC ZINC000036123977

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