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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1643896
CHEMBL1643896
Compound Name
ChEMBL Synonyms RTI-229
Max Phase 0
Trade Names
Molecular Formula C19H25IN2O

Additional synonyms for CHEMBL1643896 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c3ccc(I)cc3)C(=O)N4CCCC4
Standard InChI InChI=1S/C19H25IN2O/c1-21-15-8-9-17(21)18(19(23)22-10-2-3-11 ...
Download InChI
Standard InChI Key HPQILAIJSLHQQC-MLHJIOFPSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1643896

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
424.3 424.1012 3.48 2 23.55 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 3 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.18 2.65 .19 1 23 0.68

Structural Alerts

There are 4 structural alerts for CHEMBL1643896. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HPQILAIJSLHQQC-MLHJIOFPSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1643896



BindingDB 50334460 50035734
EPA CompTox Dashboard DTXSID10432717
Nikkaji J634.970F
PubChem 9910220
PubChem: Thomson Pharma 14880478
SureChEMBL SCHEMBL19878935
ZINC ZINC000013740285

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