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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL305397
CHEMBL305397
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H15IN2O2

Additional synonyms for CHEMBL305397 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nc(C)c(COC(=O)c2ccccc2I)nc1C
Standard InChI InChI=1S/C15H15IN2O2/c1-9-10(2)18-14(11(3)17-9)8-20-15(19)12 ...
Download InChI
Standard InChI Key CCIUZUQSPCBUCO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL305397

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
382.2 382.0178 2.61 4 52.08 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.78 3.35 3.35 2 20 0.6

Structural Alerts

There are 5 structural alerts for CHEMBL305397. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CCIUZUQSPCBUCO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL305397



PubChem 44307486
ZINC ZINC000026257040

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