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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL396377
CHEMBL396377
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H9N3OS

Additional synonyms for CHEMBL396377 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC1=NC(=O)\C(=C\c2ccc3ncccc3c2)\S1
Standard InChI InChI=1S/C13H9N3OS/c14-13-16-12(17)11(18-13)7-8-3-4-10-9(6-8 ...
Download InChI
Standard InChI Key GWSGFSPSQGXVFI-XFFZJAGNSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL396377

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
255.3 255.0466 2.16 1 68.34 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.99 2.24 2.24 2 18 0.79

Structural Alerts

There are 3 structural alerts for CHEMBL396377. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GWSGFSPSQGXVFI-XFFZJAGNSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL396377



PubChem 2337532
PubChem: Thomson Pharma 16616327
SureChEMBL SCHEMBL497022
ZINC ZINC000006189674

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