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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2110315
CHEMBL2110315
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H33NO3

Additional synonyms for CHEMBL2110315 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CC[C@]23[C@H]4Oc5c(O)ccc(CC1[C@]26CC[C@]47OC(C)(C)C(C)(C) ...
Download SMILES
Standard InChI InChI=1S/C25H33NO3/c1-21(2)16-13-23-8-9-25(16,29-22(21,3)4)2 ...
Download InChI
Standard InChI Key FTOZVQKYOSPMCR-KHYIZFIASA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2110315

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
395.5 395.246 4.03 0 41.93 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.67 8.79 2.43 1.16 1 29 0.72

Structural Alerts

There are no structural alerts for CHEMBL2110315

Compound Cross References

ChemSpider ChemSpider:FTOZVQKYOSPMCR-KHYIZFIASA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2110315



BindingDB 50451004
PubChem 70693567

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