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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL210687
CHEMBL210687
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H16N6O2S5

Additional synonyms for CHEMBL210687 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(cc1)S(=O)(=O)NC2=NCCN2C(=S)SN3CCN4C(=S)SN=C34
Standard InChI InChI=1S/C15H16N6O2S5/c1-10-2-4-11(5-3-10)28(22,23)18-12-16- ...
Download InChI
Standard InChI Key UTMMGDYTYRXGIE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL210687

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
472.7 471.9938 2.39 3 82.83 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 1 0 8 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.89 - 2.7 2.5 2 28 0.54

Structural Alerts

There are 13 structural alerts for CHEMBL210687. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UTMMGDYTYRXGIE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL210687



PubChem 24205507
ZINC ZINC000040566742

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