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ChEMBL Statistics
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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

Structural Alerts

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

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

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 ZINC02568244

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