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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2333365
CHEMBL2333365
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H22FN3O4S

Additional synonyms for CHEMBL2333365 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1c(F)c(ccc1C(=O)N2CCOc3ccc(cc3C2)c4ccc(N)nc4)S(=O)(=O)C
Standard InChI InChI=1S/C23H22FN3O4S/c1-14-18(5-7-20(22(14)24)32(2,29)30)23 ...
Download InChI
Standard InChI Key LNFBAYSBVQBKFR-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2333365

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
455.5 455.1315 3.22 3 102.59 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.22 2.14 2.11 3 32 0.65

Structural Alerts

There are 1 structural alerts for CHEMBL2333365. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LNFBAYSBVQBKFR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2333365



BindingDB 50429867
Guide to Pharmacology 7973
IBM Patent System 025D0AC3C7A4F6EB01F205F0EDDBCDDE
MolPort MolPort-035-395-815
Nikkaji J3.171.442G
PubChem 59604787
SureChEMBL SCHEMBL3761352
ZINC ZINC000095550928

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