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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3287325
CHEMBL3287325
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C32H45I2N11O5

Additional synonyms for CHEMBL3287325 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@ ...
Download SMILES
Standard InChI InChI=1S/C32H45I2N11O5/c1-18(46)42-23(4-2-14-40-31(36)37)28( ...
Download InChI
Standard InChI Key PHPBSUCWKAPUKN-ASDGIDEWSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3287325

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
917.6 917.1695 -0.35 20 283.29 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 11 2 16 14 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.1 13.52 1.34 -1.66 2 50 0.04

Structural Alerts

There are 11 structural alerts for CHEMBL3287325. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PHPBSUCWKAPUKN-ASDGIDEWSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3287325



BindingDB 50017132
PubChem 90643805
ZINC ZINC000169349461

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