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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL368792
CHEMBL368792
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H30N2O2

Additional synonyms for CHEMBL368792 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)N(CC#CCN1C(=O)CC(C1=O)(c2ccccc2)c3ccccc3)C(C)C
Standard InChI InChI=1S/C26H30N2O2/c1-20(2)27(21(3)4)17-11-12-18-28-24(29)1 ...
Download InChI
Standard InChI Key KLGANUHFFONXJC-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL368792

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
402.5 402.2307 3.85 6 40.62 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
- 8.27 4.13 3.21 2 30 0.54

Structural Alerts

There are 4 structural alerts for CHEMBL368792. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KLGANUHFFONXJC-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL368792



BindingDB 50291601
PubChem 10024068
PubChem: Thomson Pharma 15005596
ZINC ZINC000028093881

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