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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3236273
CHEMBL3236273
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H24IN3O2

Additional synonyms for CHEMBL3236273 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Ic1ccc(CCCC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C#N)cc1
Standard InChI InChI=1S/C20H24IN3O2/c21-16-10-8-15(9-11-16)4-1-7-19(25)24-1 ...
Download InChI
Standard InChI Key APZGOHLMCILMBL-ROUUACIJSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3236273

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
465.3 465.0913 3.12 5 64.41 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 5 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.38 3.38 1 26 0.63

Structural Alerts

There are 5 structural alerts for CHEMBL3236273. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:APZGOHLMCILMBL-ROUUACIJSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3236273



BindingDB 50005880
PubChem 90654965
ZINC ZINC000169313157

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