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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1303724
CHEMBL1303724
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H16N2O3

Additional synonyms for CHEMBL1303724 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccccc1C2NC(=O)NC(=C2C(=O)C)C
Standard InChI InChI=1S/C14H16N2O3/c1-8-12(9(2)17)13(16-14(18)15-8)10-6-4-5 ...
Download InChI
Standard InChI Key ZGOHIZMNXVJNSY-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1303724

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 1.91 3 67.43 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.4 - 1.84 1.84 1 19 0.87

Structural Alerts

There are 1 structural alerts for CHEMBL1303724. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZGOHIZMNXVJNSY-UHFFFAOYSA-N
PubChem SID: 3712822

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1303724



eMolecules 1968806
Nikkaji J1.139.820K
PubChem 2998180
SureChEMBL SCHEMBL15976544

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