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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2376321
CHEMBL2376321
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H19F2N3O5S

Additional synonyms for CHEMBL2376321 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@]1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc3ccc(OC(F)F)cc3
Standard InChI InChI=1S/C19H19F2N3O5S/c1-3-19(2)17(26)22-15-9-8-13(10-14(15 ...
Download InChI
Standard InChI Key QBHUGPKPNMGAOH-IBGZPJMESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2376321

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
439.4 439.1013 2.94 6 113.6 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 8 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.94 - 2.48 2.37 2 30 0.64

Structural Alerts

There are 1 structural alerts for CHEMBL2376321. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QBHUGPKPNMGAOH-IBGZPJMESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2376321



BindingDB 50433274
PubChem 71602434
PubChem: Thomson Pharma 163683545
ZINC ZINC000096258732

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