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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2376313
CHEMBL2376313
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H19F2N3O4S

Additional synonyms for CHEMBL2376313 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC1(C)N(C)C(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc3ccc(F)cc3F
Standard InChI InChI=1S/C19H19F2N3O4S/c1-4-19(2)18(26)22-15-8-6-12(10-13(15 ...
Download InChI
Standard InChI Key QBMRCDGDWIRKMZ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2376313

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
423.4 423.1064 2.96 4 95.58 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.07 - 1.92 1.83 2 29 0.79

Structural Alerts

There are 1 structural alerts for CHEMBL2376313. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QBMRCDGDWIRKMZ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2376313



BindingDB 50433277
PubChem 71603212
PubChem: Thomson Pharma 163684514

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