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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1305902
CHEMBL1305902
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H12ClF3NO2PS

Additional synonyms for CHEMBL1305902 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CP(=O)(Nc1ccc(SC(F)(F)F)cc1)Oc2ccc(Cl)cc2
Standard InChI InChI=1S/C14H12ClF3NO2PS/c1-22(20,21-12-6-2-10(15)3-7-12)19- ...
Download InChI
Standard InChI Key FPEFFNKLKIARSM-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1305902

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
381.7 380.9967 6.27 5 38.33 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.04 5.04 2 23 0.49

Structural Alerts

There are 4 structural alerts for CHEMBL1305902. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FPEFFNKLKIARSM-UHFFFAOYSA-N
PubChem SID: 26725816

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1305902



eMolecules 2895897
Mcule MCULE-2075014270
MolPort MolPort-002-564-544
PubChem 1877168

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