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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL356541
CHEMBL356541
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H33ClN2O3

Additional synonyms for CHEMBL356541 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOc1ccccc1N(C)C(=O)C(C)C2(O)CCN(CCc3ccccc3Cl)CC2
Standard InChI InChI=1S/C25H33ClN2O3/c1-4-31-23-12-8-7-11-22(23)27(3)24(29) ...
Download InChI
Standard InChI Key KZFHIHWZSCWXBD-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL356541

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
445 444.218 4.41 8 53.01 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.15 4.08 3.26 2 31 0.65

Structural Alerts

There are no structural alerts for CHEMBL356541

Compound Cross References

ChemSpider ChemSpider:KZFHIHWZSCWXBD-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL356541



PubChem 13061529

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