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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1490486
CHEMBL1490486
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H13ClN2O2

Additional synonyms for CHEMBL1490486 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1c(c2ccc(Cl)cc2)[n+]([O-])c(c[n+]1[O-])c3ccccc3
Standard InChI InChI=1S/C17H13ClN2O2/c1-12-17(14-7-9-15(18)10-8-14)20(22)16 ...
Download InChI
Standard InChI Key UOFYJYKABKOIPY-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1490486

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
312.8 312.0666 3.25 2 53.88 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
- 1.78 .36 .36 3 22 0.54

Structural Alerts

There are 3 structural alerts for CHEMBL1490486. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UOFYJYKABKOIPY-UHFFFAOYSA-N
PubChem SID: 26662967

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1490486



eMolecules 2258079
MolPort MolPort-002-089-612
PubChem 1964903
ZINC ZINC000002352164

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