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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1968390
CHEMBL1968390
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H16N2O3

Additional synonyms for CHEMBL1968390 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1C(=O)C(C2CC1(C)Oc3ccccc23)C(=O)N
Standard InChI InChI=1S/C14H16N2O3/c1-14-7-9(8-5-3-4-6-10(8)19-14)11(12(15) ...
Download InChI
Standard InChI Key OASASJFONJEUJL-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1968390

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
260.3 260.1161 0.84 1 72.63 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.33 - 1.83 1.83 1 19 0.76

Structural Alerts

There are 1 structural alerts for CHEMBL1968390. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OASASJFONJEUJL-UHFFFAOYSA-N
PubChem SID: 527288

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1968390



PubChem 395967

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