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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2431783
CHEMBL2431783
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H15NO3

Additional synonyms for CHEMBL2431783 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CO[C@@H]1C(=O)Nc2ccccc2[C@@]1(O)c3ccccc3
Standard InChI InChI=1S/C16H15NO3/c1-20-14-15(18)17-13-10-6-5-9-12(13)16(14 ...
Download InChI
Standard InChI Key ZJKJPVOOYVJWFU-ZBFHGGJFSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2431783

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
269.3 269.1052 1.89 2 58.56 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.52 - .22 .22 2 20 0.87

Structural Alerts

There are 1 structural alerts for CHEMBL2431783. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZJKJPVOOYVJWFU-ZBFHGGJFSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2431783



Nikkaji J3.480.589J
PubChem 72703463
ZINC ZINC000096933102

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