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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL398120
CHEMBL398120
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H14FN3OS2

Additional synonyms for CHEMBL398120 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCc1sc2N=C(SCC#N)N(C(=O)c2c1C)c3ccc(F)cc3
Standard InChI InChI=1S/C17H14FN3OS2/c1-3-13-10(2)14-15(24-13)20-17(23-9-8- ...
Download InChI
Standard InChI Key OPFPORCTFWJZLQ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL398120

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
359.5 359.0562 4.07 4 58.68 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.44 2.44 3 24 0.52

Structural Alerts

There are no structural alerts for CHEMBL398120

Compound Cross References

ChemSpider ChemSpider:OPFPORCTFWJZLQ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL398120



PubChem 44441470
ZINC ZINC000028949162

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