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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL192387
CHEMBL192387
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H13N

Additional synonyms for CHEMBL192387 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1NCC2CC1c3ccccc23
Standard InChI InChI=1S/C11H13N/c1-2-4-11-9-5-8(6-12-7-9)10(11)3-1/h1-4,8-9 ...
Download InChI
Standard InChI Key COMHUAMOJSTCMM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL192387

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
159.2 159.1048 1.86 0 12.03 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.34 2.1 -.62 1 12 0.61

Structural Alerts

There are no structural alerts for CHEMBL192387

Compound Cross References

ChemSpider ChemSpider:COMHUAMOJSTCMM-UHFFFAOYSA-N
Wikipedia 2,3,4,5-Tetrahydro-1,5-methano-1H-3-benzazepine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL192387



BindingDB 50166909
IBM Patent System B77DFDC3C2FC47970FDAB80D5715D4EC
Nikkaji J2.076.028A
PubChem 10198058
PubChem: Thomson Pharma 15219359
SureChEMBL SCHEMBL1972232

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