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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL101905
CHEMBL101905
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H21N

Additional synonyms for CHEMBL101905 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(cc1)[C@H]2C[C@H]3CCC4C2C(=C)CN34
Standard InChI InChI=1S/C17H21N/c1-11-3-5-13(6-4-11)15-9-14-7-8-16-17(15)12 ...
Download InChI
Standard InChI Key BMNNHOAPHMYHIH-NUWOQIAWSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL101905

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
239.4 239.1674 3.62 1 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
- 9.8 4.11 1.79 1 18 0.68

Structural Alerts

There are 2 structural alerts for CHEMBL101905. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BMNNHOAPHMYHIH-NUWOQIAWSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL101905



BindingDB 50085506
PubChem 10060174
PubChem: Thomson Pharma 15044412

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