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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL169212
CHEMBL169212
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H32N2

Additional synonyms for CHEMBL169212 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCCc1nc2ccccc2[nH]1
Standard InChI InChI=1S/C20H32N2/c1-2-3-4-5-6-7-8-9-10-11-12-17-20-21-18-15 ...
Download InChI
Standard InChI Key OZRZZNNKEBHRGQ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL169212

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
300.5 300.2565 6.42 12 28.68 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 1 2 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.98 5.79 8.37 8.35 2 22 0.45

Structural Alerts

There are 9 structural alerts for CHEMBL169212. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OZRZZNNKEBHRGQ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL169212



ACToR 5805-25-4
BindingDB 50404936
IBM Patent System 22646503BC18D35292DAF31A9D0538FE
Mcule MCULE-5514408048
Nikkaji J873.052K
PubChem 252337
SureChEMBL SCHEMBL3166862
ZINC ZINC000043439825

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