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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL279556
CHEMBL279556
Compound Name
ChEMBL Synonyms BTCP
Max Phase 0
Trade Names
Molecular Formula C19H25NS

Additional synonyms for CHEMBL279556 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CCN(CC1)C2(CCCCC2)c3cc4ccccc4s3
Standard InChI InChI=1S/C19H25NS/c1-5-11-19(12-6-1,20-13-7-2-8-14-20)18-15- ...
Download InChI
Standard InChI Key RGSVXQJPSWZXOP-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL279556

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
299.5 299.1708 5.69 2 31.47 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.56 5.52 4.33 2 21 0.7

Structural Alerts

There are no structural alerts for CHEMBL279556

Compound Cross References

ChemSpider ChemSpider:RGSVXQJPSWZXOP-UHFFFAOYSA-N
PubChem SID: 11110818 SID: 11113653 SID: 124879363 SID: 124879365 SID: 26751845 SID: 50104547 SID: 90340631
Wikipedia Benocyclidine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL279556



ACToR 112726-66-6
BindingDB 50005534
Brenda 38970 28091 163583 74852
ChEBI 64145
eMolecules 1933651
EPA CompTox Dashboard DTXSID0042581
IBM Patent System 31142E4A7A2BD9686758754FE3E99D42
LINCS LSM-4551
Nikkaji J227.590B
PubChem 123692
PubChem: Thomson Pharma 15370210
SureChEMBL SCHEMBL988286
ZINC ZINC000002530684

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