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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL385580
CHEMBL385580
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H30N2O3

Additional synonyms for CHEMBL385580 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)c1ccc(C)cc1OCC(O)CN2CCN(CC2)c3ccccc3C
Standard InChI InChI=1S/C23H30N2O3/c1-17-8-9-21(19(3)26)23(14-17)28-16-20(2 ...
Download InChI
Standard InChI Key WRLCVPSRZYMWMM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL385580

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
382.5 382.2256 3.78 7 53.01 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.92 2.6 2.46 2 28 0.74

Structural Alerts

There are 1 structural alerts for CHEMBL385580. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WRLCVPSRZYMWMM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL385580



BindingDB 50207944
PubChem 44421015

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