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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL162658
CHEMBL162658
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H20IN7O5

Additional synonyms for CHEMBL162658 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN1C(=O)N(Cc2ccc(N=[N+]=[N-])c(I)c2)c3[nH]c(nc3C1=O)c4ccc( ...
Download SMILES
Standard InChI InChI=1S/C23H20IN7O5/c1-2-9-30-22(34)19-21(27-20(26-19)14-4- ...
Download InChI
Standard InChI Key WLOCZCUDOIHJPJ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL162658

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
601.4 601.0571 4.53 9 165.57 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 2 1 12 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.06 .93 4.42 .59 3 36 0.16

Structural Alerts

There are 15 structural alerts for CHEMBL162658. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WLOCZCUDOIHJPJ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL162658



BindingDB 50023399
PubChem 14016351
ZINC ZINC000027849684

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