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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL322796
CHEMBL322796
Compound Name CYPRODIME
ChEMBL Synonyms Cyprodime
Max Phase 0
Trade Names
Molecular Formula C22H29NO3

Additional synonyms for CHEMBL322796 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cccc2C[C@H]3N(CC4CC4)CC[C@@]5(CC(=O)CC[C@@]35OC)c12
Standard InChI InChI=1S/C22H29NO3/c1-25-18-5-3-4-16-12-19-22(26-2)9-8-17(24 ...
Download InChI
Standard InChI Key INUCRGMCKDQKNA-CEMLEFRQSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL322796

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
355.5 355.2147 2.6 4 38.76 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.42 4.79 4.48 1 26 0.83

Structural Alerts

There are 1 structural alerts for CHEMBL322796. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:INUCRGMCKDQKNA-CEMLEFRQSA-N
Wikipedia Cyprodime

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL322796



ACToR 118111-54-9
BindingDB 50148071
IBM Patent System 9D7F9F900CDCA8AA0412DA146E8AD46E
PubChem 5748293
PubChem: Thomson Pharma 14754492
SureChEMBL SCHEMBL3619261
ZINC ZINC000013580323

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