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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1522841
CHEMBL1522841
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H20N4S

Additional synonyms for CHEMBL1522841 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCSc1n[nH]c(N)n1
Standard InChI InChI=1S/C10H20N4S/c1-2-3-4-5-6-7-8-15-10-12-9(11)13-14-10/h ...
Download InChI
Standard InChI Key ZENVYDNEKHBMPM-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1522841

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
228.4 228.1409 2.84 8 67.59 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.59 3.36 4.26 4.26 1 15 0.53

Structural Alerts

There are 7 structural alerts for CHEMBL1522841. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZENVYDNEKHBMPM-UHFFFAOYSA-N
PubChem SID: 17507159

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1522841



eMolecules 1259534
Mcule MCULE-6262944464
MolPort MolPort-001-942-563
PubChem 2063733
PubChem: Thomson Pharma 14819038
ZINC ZINC000002573224

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