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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1092270
CHEMBL1092270
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H13N5OS2

Additional synonyms for CHEMBL1092270 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCN1C(=S)Sc2c1ncn3nc(nc23)c4occc4
Standard InChI InChI=1S/C14H13N5OS2/c1-2-3-6-18-12-10(22-14(18)21)13-16-11( ...
Download InChI
Standard InChI Key QHFYRCHXHNWYCV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1092270

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
331.4 331.0562 3.93 4 61.15 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 0 0 6 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 4.12 4.12 4 22 0.53

Structural Alerts

There are 3 structural alerts for CHEMBL1092270. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QHFYRCHXHNWYCV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1092270



BindingDB 50315540
PubChem 46865329
PubChem: Thomson Pharma 99304268
ZINC ZINC000049109931

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