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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL204720
CHEMBL204720
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H55INO6P

Additional synonyms for CHEMBL204720 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(COCCCCCCCCCCCCCCCc1ccc(I)cc1)COP(=O)([O-])OCC[N+](C)(C)C
Standard InChI InChI=1S/C30H55INO6P/c1-32(2,3)23-25-37-39(33,34)38-27-30(35 ...
Download InChI
Standard InChI Key ANWDRPJVOGBJMR-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL204720

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
683.7 683.2812 7.14 26 77.05 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 0 2 7 0 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.2 - 5.43 6.03 1 39 0.04

Structural Alerts

There are 17 structural alerts for CHEMBL204720. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ANWDRPJVOGBJMR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL204720



PubChem 11578415
PubChem: Thomson Pharma 16680687

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