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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2365707
CHEMBL2365707
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H32N2O2

Additional synonyms for CHEMBL2365707 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H](CN1CCOCC1)C(C(=O)N2CCCC2)(c3ccccc3)c4ccccc4
Standard InChI InChI=1S/C25H32N2O2/c1-21(20-26-16-18-29-19-17-26)25(22-10-4 ...
Download InChI
Standard InChI Key INUNXTSAACVKJS-OAQYLSRUSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL2365707

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
392.5 392.2464 3.56 6 32.78 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
- 6.9 2.53 2.42 2 29 0.75

Structural Alerts

There are 1 structural alerts for CHEMBL2365707. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:INUNXTSAACVKJS-OAQYLSRUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2365707



ACToR 357-56-2
ChEBI 74274
DrugBank DB01529
DrugCentral 843
EPA CompTox Dashboard DTXSID8022909
FDA SRS 9S4S6CIY83
IBM Patent System A4563D55BB9CF4BEB3AE3021D04E781C
Nikkaji J64.157J
PubChem 92943
PubChem: Thomson Pharma 16847759
SureChEMBL SCHEMBL25463
ZINC ZINC000029402224

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