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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL22258
CHEMBL22258
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H29N3O

Additional synonyms for CHEMBL22258 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN1C[C@@H](C=C2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N(CC)CC
Standard InChI InChI=1S/C22H29N3O/c1-4-10-25-14-16(22(26)24(5-2)6-3)11-18-1 ...
Download InChI
Standard InChI Key HZKYLVLOBYNKKM-OXQOHEQNSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL22258

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
351.5 351.2311 3.48 5 39.34 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.49 3.73 3.37 2 26 0.9

Structural Alerts

There are no structural alerts for CHEMBL22258

Compound Cross References

ChemSpider ChemSpider:HZKYLVLOBYNKKM-OXQOHEQNSA-N
Wikipedia PRO-LAD

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL22258



EPA CompTox Dashboard DTXSID50215824
PubChem 44457803
ZINC ZINC000028254030

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