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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL293649
CHEMBL293649
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H14N2S

Additional synonyms for CHEMBL293649 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES S=C1C=CC=C2C3CNCC(C3)CN12
Standard InChI InChI=1S/C11H14N2S/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11 ...
Download InChI
Standard InChI Key SXRPRXJTRLBYNK-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL293649

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
206.3 206.0878 1.92 0 16.96 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.19 1.35 -.92 1 14 0.65

Structural Alerts

There are 3 structural alerts for CHEMBL293649. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SXRPRXJTRLBYNK-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL293649



BindingDB 50161084
PubChem 44304691

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