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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL445377
CHEMBL445377
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H19N

Additional synonyms for CHEMBL445377 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CC2C3CCCC3C1c4ccccc24
Standard InChI InChI=1S/C15H19N/c1-16-9-14-10-5-2-3-6-12(10)15(16)13-8-4-7- ...
Download InChI
Standard InChI Key SYUCGKZXQQTLMH-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL445377

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
213.3 213.1517 3.03 0 3.24 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.21 2.77 1.89 1 16 0.64

Structural Alerts

There are no structural alerts for CHEMBL445377

Compound Cross References

ChemSpider ChemSpider:SYUCGKZXQQTLMH-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL445377



PubChem 44348500

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