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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL383485
CHEMBL383485
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H12FNOS

Additional synonyms for CHEMBL383485 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cn1c2c(CSc3cc(F)ccc23)c4cccc(O)c14
Standard InChI InChI=1S/C16H12FNOS/c1-18-15-11-6-5-9(17)7-14(11)20-8-12(15) ...
Download InChI
Standard InChI Key FAYWWZHEARMADZ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL383485

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
285.3 285.0624 4.3 0 25.16 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.1 - 3.68 3.68 3 20 0.67

Structural Alerts

There are no structural alerts for CHEMBL383485

Compound Cross References

ChemSpider ChemSpider:FAYWWZHEARMADZ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL383485



BindingDB 50185200
IBM Patent System A798815CB95DE4D51E244F01E51F36A8
PubChem 44411768
SureChEMBL SCHEMBL2953286
ZINC ZINC000034801465

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