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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL382741
CHEMBL382741
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H26N2O2

Additional synonyms for CHEMBL382741 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc3ccccc3C#N
Standard InChI InChI=1S/C24H26N2O2/c1-24(2,14-18-11-12-19-7-3-4-8-20(19)13- ...
Download InChI
Standard InChI Key WJNQZXPCJCLCNG-JOCHJYFZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL382741

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
374.5 374.1994 4.18 8 65.28 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.74 8.98 5.02 3.34 3 28 0.62

Structural Alerts

There are 1 structural alerts for CHEMBL382741. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WJNQZXPCJCLCNG-JOCHJYFZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL382741



BindingDB 50175387
PubChem 44405840
PubChem: Thomson Pharma 87222753
ZINC ZINC000028564706

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