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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1571241
CHEMBL1571241
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H14N2O3

Additional synonyms for CHEMBL1571241 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(\C=C\C(=O)Nc2cc(C)on2)cc1
Standard InChI InChI=1S/C14H14N2O3/c1-10-9-13(16-19-10)15-14(17)8-5-11-3-6- ...
Download InChI
Standard InChI Key BGONPMPNASDXNB-VMPITWQZSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1571241

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
258.3 258.1004 2.2 4 64.36 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.54 - 2.98 2.98 2 19 0.86

Structural Alerts

There are 4 structural alerts for CHEMBL1571241. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BGONPMPNASDXNB-VMPITWQZSA-N
PubChem SID: 22416269

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1571241



eMolecules 25952404
Mcule MCULE-4966369686
MolPort MolPort-001-501-757
PubChem 753001
ZINC ZINC000000204795

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