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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3236272
CHEMBL3236272
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H25IN2O2

Additional synonyms for CHEMBL3236272 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Ic1ccc(CCCC(=O)N2CCC[C@H]2C(=O)N3CCCC3)cc1
Standard InChI InChI=1S/C19H25IN2O2/c20-16-10-8-15(9-11-16)5-3-7-18(23)22-1 ...
Download InChI
Standard InChI Key LGGATUIPMFLLJI-KRWDZBQOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3236272

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
440.3 440.0961 3.23 5 40.62 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.48 3.48 1 24 0.66

Structural Alerts

There are 4 structural alerts for CHEMBL3236272. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LGGATUIPMFLLJI-KRWDZBQOSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3236272



BindingDB 50005872
Brenda 201563
PubChem 90654964
ZINC ZINC000169313156

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