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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL559612
CHEMBL559612
Compound Name CP-55940
ChEMBL Synonyms CP-55940
Max Phase 0
Trade Names
Molecular Formula C24H40O3

Additional synonyms for CHEMBL559612 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1
Standard InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16- ...
Download InChI
Standard InChI Key YNZFFALZMRAPHQ-SYYKKAFVSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL559612

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
376.6 376.2977 6.16 10 60.69 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 1 3 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.25 - 6.2 6.2 1 27 0.43

Structural Alerts

There are 3 structural alerts for CHEMBL559612. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YNZFFALZMRAPHQ-SYYKKAFVSA-N
PubChem SID: 11110912 SID: 124886958 SID: 50104663 SID: 50104664 SID: 56463013 SID: 90340634
Wikipedia CP_55,940

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL559612



ACToR 83003-12-7
BindingDB 50072775
eMolecules 535735
FDA SRS KFY70972J5
Guide to Pharmacology 730 734
IBM Patent System BECE2704A9CE63E36380046AA1D5928C
Nikkaji J259.891D
PubChem 104895
PubChem: Thomson Pharma 16501872 14926865
SureChEMBL SCHEMBL120410
ZINC ZINC000002568244

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