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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL361259
CHEMBL361259
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H21NS

Additional synonyms for CHEMBL361259 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CSc1ccc(cc1)[C@H]2CN3CCC[C@H]3c4ccccc24
Standard InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-1 ...
Download InChI
Standard InChI Key YVKDUIAAPBKHMJ-MOPGFXCFSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL361259

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
295.4 295.1395 4.36 2 28.54 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.5 3.2 2.07 2 21 0.77

Structural Alerts

There are no structural alerts for CHEMBL361259

Compound Cross References

ChemSpider ChemSpider:YVKDUIAAPBKHMJ-MOPGFXCFSA-N
PubChem SID: 29215518
Wikipedia McN5652

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL361259



BindingDB 81991 50154364
ChEBI 125531
eMolecules 32234149
FDA SRS Y33Z4ABP6N
LINCS LSM-37042
Nikkaji J259.887F
PubChem 6336338
PubChem: Thomson Pharma 15271168
SureChEMBL SCHEMBL6307737
ZINC ZINC000013813276

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