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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3287324
CHEMBL3287324
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C36H42IN9O7

Additional synonyms for CHEMBL3287324 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)N2Cc3 ...
Download SMILES
Standard InChI InChI=1S/C36H42IN9O7/c1-21(47)42-28(7-4-16-41-36(39)40)33(49 ...
Download InChI
Standard InChI Key LVZVUZUDRDMDPR-LVCGBWMPSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3287324

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
839.7 839.2252 1.16 16 255.74 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 7 2 16 9 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.03 13.34 .93 -1.07 3 53 0.03

Structural Alerts

There are 15 structural alerts for CHEMBL3287324. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LVZVUZUDRDMDPR-LVCGBWMPSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3287324



BindingDB 50017131
PubChem 90643804

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