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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL353115
CHEMBL353115
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H22IN7O5

Additional synonyms for CHEMBL353115 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN1C(=O)N(CCc2ccc(N=[N+]=[N-])c(I)c2)C(=O)c3[nH]c(nc13)c4c ...
Download SMILES
Standard InChI InChI=1S/C24H22IN7O5/c1-2-10-31-22-20(27-21(28-22)15-4-6-16( ...
Download InChI
Standard InChI Key UASGMORFNUPXFD-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL353115

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
615.4 615.0727 5.13 10 165.57 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 2 2 12 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.06 1.55 5.03 1.34 3 37 0.14

Structural Alerts

There are 15 structural alerts for CHEMBL353115. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UASGMORFNUPXFD-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL353115



BindingDB 50023394
PubChem 14016359
ZINC ZINC000027851878

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