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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL462144
CHEMBL462144
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H20F4N4O3S

Additional synonyms for CHEMBL462144 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc(cnc1N2CCC(CC2)C(=O)O)C(=O)Nc3nc(cs3)c4cccc(c4F)C(F)(F) ...
Download SMILES
Standard InChI InChI=1S/C23H20F4N4O3S/c1-12-9-14(10-28-19(12)31-7-5-13(6-8- ...
Download InChI
Standard InChI Key WRIFMIMPQKPCOS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL462144

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
508.5 508.1192 5.22 5 95.42 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 2 7 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.04 7.79 5.8 2.24 3 35 0.46

Structural Alerts

There are 2 structural alerts for CHEMBL462144. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WRIFMIMPQKPCOS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL462144



BindingDB 50248070
IBM Patent System 58D61147C05C829B451F9E7AFCFF05E8
PubChem 15949077
PubChem: Thomson Pharma 22420480
SureChEMBL SCHEMBL5591165
ZINC ZINC000034789442

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