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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL356385
CHEMBL356385
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H32N2O2

Additional synonyms for CHEMBL356385 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCN(C)C(=O)Oc1cccc(CC(C)N(C)CC#C)c1
Standard InChI InChI=1S/C21H32N2O2/c1-6-8-9-10-15-23(5)21(24)25-20-13-11-12 ...
Download InChI
Standard InChI Key YNBUJXJHKVCTQX-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL356385

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
344.5 344.2464 4.19 10 32.78 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.07 4.51 4.35 1 25 0.47

Structural Alerts

There are 7 structural alerts for CHEMBL356385. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YNBUJXJHKVCTQX-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL356385



BindingDB 10826
PubChem 10382902
PubChem: Thomson Pharma 15398108

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