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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1490843
CHEMBL1490843
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H16N2S

Additional synonyms for CHEMBL1490843 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(CSCc2nc3ccccc3[nH]2)cc1
Standard InChI InChI=1S/C16H16N2S/c1-12-6-8-13(9-7-12)10-19-11-16-17-14-4-2 ...
Download InChI
Standard InChI Key NUFCKOACLCMZRS-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1490843

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
268.4 268.1034 4.3 4 28.68 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.52 5.09 3.66 3.66 3 19 0.76

Structural Alerts

There are no structural alerts for CHEMBL1490843

Compound Cross References

ChemSpider ChemSpider:NUFCKOACLCMZRS-UHFFFAOYSA-N
PubChem SID: 17414992

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1490843



eMolecules 2190926
Mcule MCULE-3601907705
MolPort MolPort-000-307-882
PubChem 954581
ZINC ZINC000000559875

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