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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1303508
CHEMBL1303508
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H12N2OS2

Additional synonyms for CHEMBL1303508 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1NC(=S)S/C/1=C\c2c([nH]c3ccccc23)c4ccccc4
Standard InChI InChI=1S/C18H12N2OS2/c21-17-15(23-18(22)20-17)10-13-12-8-4-5 ...
Download InChI
Standard InChI Key HGGBOQNUNSXPOZ-GDNBJRDFSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1303508

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
336.4 336.0391 4.32 2 44.89 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.65 - 2.95 2.8 3 23 0.54

Structural Alerts

There are 8 structural alerts for CHEMBL1303508. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HGGBOQNUNSXPOZ-GDNBJRDFSA-N
PubChem SID: 17505334

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1303508



eMolecules 25790829
Mcule MCULE-7901097684
MolPort MolPort-001-934-430
PubChem 5756550
ZINC ZINC000004713689

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