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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1521954
CHEMBL1521954
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H11FN4OS

Additional synonyms for CHEMBL1521954 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cn1c2C(=O)N(Cc3ccc(F)cc3)N=Cc2c4sc(cc14)C#N
Standard InChI InChI=1S/C17H11FN4OS/c1-21-14-6-12(7-19)24-16(14)13-8-20-22( ...
Download InChI
Standard InChI Key WENXICOYHXGPFD-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1521954

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
338.4 338.0638 3.01 2 63.61 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 0 0 5 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.54 1.54 4 24 0.56

Structural Alerts

There are no structural alerts for CHEMBL1521954

Compound Cross References

ChemSpider ChemSpider:WENXICOYHXGPFD-UHFFFAOYSA-N
PubChem SID: 85271835 SID: 87225682

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1521954



PubChem 44246513

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