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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL65300
CHEMBL65300
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H19N3S

Additional synonyms for CHEMBL65300 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)c1nsc(n1)C2CN3CCC2CC3
Standard InChI InChI=1S/C12H19N3S/c1-8(2)11-13-12(16-14-11)10-7-15-5-3-9(10 ...
Download InChI
Standard InChI Key ZSBASMGYELNAMD-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL65300

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
237.4 237.13 2.47 2 29.02 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.87 2.76 1.41 1 16 0.79

Structural Alerts

There are no structural alerts for CHEMBL65300

Compound Cross References

ChemSpider ChemSpider:ZSBASMGYELNAMD-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL65300



IBM Patent System 5824FEDADBCF92A17529297B1B95D6EB
Nikkaji J328.896J
PubChem 14763530
SureChEMBL SCHEMBL9151124

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