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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL415914
CHEMBL415914
Compound Name
ChEMBL Synonyms GNF-Pf-1094
Max Phase 0
Trade Names
Molecular Formula C40H64O12

Additional synonyms for CHEMBL415914 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](C)C[C@@H]3CC[ ...
Download SMILES
Standard InChI InChI=1S/C40H64O12/c1-21-17-29-9-13-34(49-29)26(6)38(42)46-2 ...
Download InChI
Standard InChI Key RMIXHJPMNBXMBU-QIIXEHPYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL415914

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
736.9 736.4398 4.98 0 142.12 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 0 2 12 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.46 3.46 0 52 0.31

Structural Alerts

There are 2 structural alerts for CHEMBL415914. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RMIXHJPMNBXMBU-QIIXEHPYSA-N
PubChem SID: 103268 SID: 26756983
Wikipedia Nonactin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL415914



ACToR 6833-84-7
ChEBI 7614
eMolecules 30154692 477493
EPA CompTox Dashboard DTXSID10218477
FDA SRS TTP24WX8P7
KEGG Ligand C11186
Mcule MCULE-1711527138
MolPort MolPort-002-515-674
Nikkaji J9.825F
PubChem 72519
PubChem: Thomson Pharma 14888871
SureChEMBL SCHEMBL82710
ZINC ZINC000085552238

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