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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL14844
CHEMBL14844
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H13N3O3

Additional synonyms for CHEMBL14844 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC(=O)C1=C(O)c2cccnc2N(C1=O)c3ccccc3
Standard InChI InChI=1S/C16H13N3O3/c1-17-15(21)12-13(20)11-8-5-9-18-14(11)1 ...
Download InChI
Standard InChI Key DYTNYZKMIIMFGF-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL14844

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
295.3 295.0957 1.45 2 84.22 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.5 - .92 -1.34 3 22 0.75

Structural Alerts

There are 1 structural alerts for CHEMBL14844. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DYTNYZKMIIMFGF-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL14844



IBM Patent System 35546421074AD3E6E6A44C142325E6DB
Nikkaji J468.694B
PubChem 54722014
SureChEMBL SCHEMBL9045112
ZINC ZINC000100761859

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