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ChEMBL Statistics
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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

Structural Alerts

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

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 38.77 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

Compound Cross References

ChemSpider ChemSpider:INUCRGMCKDQKNA-CEMLEFRQSA-N
Wikipedia Cyprodime

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL322796



ACToR 118111-54-9
BindinDB 50148071
IBM Patent System 9D7F9F900CDCA8AA0412DA146E8AD46E
IBM Patents EP1931421A1 WO2010036401A1 WO2007041544A1 EP1262196A2 US20040162316 US20030130322
PubChem 5748293
PubChem: Thomson Pharma 14754492
SureChEMBL SCHEMBL3619261

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