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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL440765
CHEMBL440765
Compound Name U-69593
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H32N2O2

Additional synonyms for CHEMBL440765 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N3CCCC3)C(=O)Cc4ccccc4
Standard InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12- ...
Download InChI
Standard InChI Key PGZRDDYTKFZSFR-ONTIZHBOSA-N

Structural Alerts

There are no structural alerts for CHEMBL440765

Alternate Forms of Compound in ChEMBL


CHEMBL440765

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
356.5 356.2464 2.67 4 32.78 BASE


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
- 9.15 2.76 1.16 1 26 0.83

Compound Cross References

ChemSpider ChemSpider:PGZRDDYTKFZSFR-ONTIZHBOSA-N
PubChem SID: 144205579 SID: 26756545
Wikipedia U-69,593

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL440765



ACToR 96744-75-1
BindinDB 21130
ChEBI 73357
eMolecules 1933830
FDA SRS J5S4K6TKTG
Guide to Pharmacology 1655 1656
IBM Patent System 97410823CBBF19B5683860294A50F809
IBM Patents US20090326017 WO2010000019A1
Nikkaji J257.581G
PubChem 105104
PubChem: Thomson Pharma 50093889
SureChEMBL SCHEMBL726034

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