ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL49269
CHEMBL49269
Compound Name CYCLORPHAN
ChEMBL Synonyms Cyclorphan | (-)-Cyclorphan
Max Phase 0
Trade Names
Molecular Formula C20H27NO

Additional synonyms for CHEMBL49269 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC5CC5)c2c1
Standard InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15 ...
Download InChI
Standard InChI Key NLBUEDSBXVNAPB-DFQSSKMNSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL49269

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
297.4 297.2093 4.27 2 23.47 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.17 8.98 4.16 2.6 1 22 0.88

Structural Alerts

There are no structural alerts for CHEMBL49269

Compound Cross References

ChemSpider ChemSpider:NLBUEDSBXVNAPB-DFQSSKMNSA-N
Wikipedia Cyclorphan

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL49269



ACToR 4163-15-9
BindingDB 50135800
FDA SRS U6Z73N36V0
IBM Patent System C1478B44EF2350D9E29ECA3EB12ECB77
PubChem 5359966
SureChEMBL SCHEMBL159134
ZINC ZINC000004215487

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