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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL201525
CHEMBL201525
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H21N

Additional synonyms for CHEMBL201525 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCc2ccccc2Cc3ccccc3CC1
Standard InChI InChI=1S/C18H21N/c1-19-12-10-15-6-2-4-8-17(15)14-18-9-5-3-7- ...
Download InChI
Standard InChI Key BXOLXXSMCLYDNG-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL201525

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
251.4 251.1674 3.31 0 3.24 BASE


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
- 9.04 4.41 2.78 2 19 0.69

Structural Alerts

There are no structural alerts for CHEMBL201525

Compound Cross References

ChemSpider ChemSpider:BXOLXXSMCLYDNG-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL201525



BindingDB 50180925
PubChem 5249956
PubChem: Thomson Pharma 16777176
ZINC ZINC000013679813

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