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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL242024
CHEMBL242024
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H15N5S2

Additional synonyms for CHEMBL242024 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(Nc2nnc(SCc3csc(C)n3)[nH]2)cc1
Standard InChI InChI=1S/C14H15N5S2/c1-9-3-5-11(6-4-9)16-13-17-14(19-18-13)2 ...
Download InChI
Standard InChI Key UOZJYTRYFBCHCN-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL242024

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
317.4 317.0769 3.91 5 66.49 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.12 2.22 2.56 2.56 3 21 0.7

Structural Alerts

There are no structural alerts for CHEMBL242024

Compound Cross References

ChemSpider ChemSpider:UOZJYTRYFBCHCN-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL242024



BindingDB 17374
IBM Patent System 1B6E6F8EEFCC64EDF7A0BF2F5B03FF9D
PubChem 9905053
PubChem: Thomson Pharma 14874581
SureChEMBL SCHEMBL5371860
ZINC ZINC000014964132

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