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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

Structural Alerts

There are no structural alerts for CHEMBL361259

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

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

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