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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1970282
CHEMBL1970282
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H15NO4

Additional synonyms for CHEMBL1970282 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cnc2C(=O)C3=C(C(O)CC(C)(C)O3)C(=O)c2c1
Standard InChI InChI=1S/C15H15NO4/c1-7-4-8-11(16-6-7)13(19)14-10(12(8)18)9( ...
Download InChI
Standard InChI Key YIMVNPNFSCHJGD-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1970282

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
273.3 273.1001 1.58 0 76.49 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.37 .51 1.73 1.73 1 20 0.78

Structural Alerts

There are 6 structural alerts for CHEMBL1970282. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YIMVNPNFSCHJGD-UHFFFAOYSA-N
PubChem SID: 503755

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1970282



Nikkaji J659.867F
PubChem 372581

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