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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2376320
CHEMBL2376320
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H18F3N3O4S

Additional synonyms for CHEMBL2376320 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(cc3)C(F)(F)F
Standard InChI InChI=1S/C19H18F3N3O4S/c1-3-18(2)17(27)23-15-9-8-13(10-14(15 ...
Download InChI
Standard InChI Key JNGAEUOTFLFHHQ-SFHVURJKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2376320

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
441.4 441.097 3.36 4 104.37 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.37 - 2.81 2.45 2 30 0.68

Structural Alerts

There are 1 structural alerts for CHEMBL2376320. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JNGAEUOTFLFHHQ-SFHVURJKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2376320



BindingDB 50433275
PubChem 71602433
PubChem: Thomson Pharma 163683544
ZINC ZINC000096258733

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