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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1970931
CHEMBL1970931
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H18INO

Additional synonyms for CHEMBL1970931 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C(=O)C12C3C4C1C5C2C3C45I)C(C)(C)C
Standard InChI InChI=1S/C14H18INO/c1-12(2,3)16(4)11(17)13-5-8-6(13)10-7(13) ...
Download InChI
Standard InChI Key YJYUIOSXPDSMKG-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1970931

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
343.2 343.0433 2.17 1 20.31 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.37 2.37 0 17 0.53

Structural Alerts

There are 6 structural alerts for CHEMBL1970931. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YJYUIOSXPDSMKG-UHFFFAOYSA-N
PubChem SID: 504655

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1970931



PubChem 373485
ZINC ZINC000001631973

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