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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2435266
CHEMBL2435266
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H15NO2

Additional synonyms for CHEMBL2435266 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)c1cc2C(=O)c3ccccc3C(=O)c2c(C)n1
Standard InChI InChI=1S/C17H15NO2/c1-9(2)14-8-13-15(10(3)18-14)17(20)12-7-5 ...
Download InChI
Standard InChI Key QHQSKHJTJNUGFQ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2435266

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
265.3 265.1103 3.29 1 47.03 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.41 2.79 2.79 2 20 0.68

Structural Alerts

There are 5 structural alerts for CHEMBL2435266. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QHQSKHJTJNUGFQ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2435266



PubChem 72374818
ZINC ZINC000096934757

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