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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1967668
CHEMBL1967668
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H12ClN3OS2

Additional synonyms for CHEMBL1967668 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1sc2N=C3SCC(=NN3C(=O)c2c1C)c4ccc(Cl)cc4
Standard InChI InChI=1S/C16H12ClN3OS2/c1-8-9(2)23-14-13(8)15(21)20-16(18-14 ...
Download InChI
Standard InChI Key SQMNQMSCIMTWAZ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1967668

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
361.9 361.011 4.09 1 47.25 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
- - 4.15 4.15 3 23 0.61

Structural Alerts

There are no structural alerts for CHEMBL1967668

Compound Cross References

ChemSpider ChemSpider:SQMNQMSCIMTWAZ-UHFFFAOYSA-N
PubChem SID: 516084

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1967668



PubChem 384941
PubChem: Thomson Pharma 15052338
ZINC ZINC000006006832

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