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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1307127
CHEMBL1307127
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H13F2NO3S

Additional synonyms for CHEMBL1307127 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(F)S(=O)(=O)c1ccc(cc1)C(=O)NCc2ccccc2
Standard InChI InChI=1S/C15H13F2NO3S/c16-15(17)22(20,21)13-8-6-12(7-9-13)14 ...
Download InChI
Standard InChI Key RTKRFTSVWLBDKI-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1307127

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
325.3 325.0584 2.61 5 63.24 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.53 - 2.33 2.33 2 22 0.92

Structural Alerts

There are 1 structural alerts for CHEMBL1307127. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RTKRFTSVWLBDKI-UHFFFAOYSA-N
PubChem SID: 16953965

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1307127



eMolecules 3317376
Mcule MCULE-2047623620
MolPort MolPort-004-063-691
PubChem 2567399
ZINC ZINC000003447245

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