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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2094471
CHEMBL2094471
Compound Name
ChEMBL Synonyms DNDI1417133
Max Phase 0
Trade Names
Molecular Formula C14H14N4O3

Additional synonyms for CHEMBL2094471 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nonc1C(=O)N\N=C\c2cccc(CC=C)c2O
Standard InChI InChI=1S/C14H14N4O3/c1-3-5-10-6-4-7-11(13(10)19)8-15-16-14(2 ...
Download InChI
Standard InChI Key STLSQKZWXYODJU-OVCLIPMQSA-N

Sources

  • Drugs for Neglected Diseases Initiative (DNDi)

Alternate Forms of Compound in ChEMBL


CHEMBL2094471

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
286.3 286.1066 1.58 5 100.61 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.22 - 2.94 2.9 2 21 0.49

Structural Alerts

There are 8 structural alerts for CHEMBL2094471. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:STLSQKZWXYODJU-OVCLIPMQSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2094471



eMolecules 6731643
Mcule MCULE-9981117164
MolPort MolPort-002-688-839
ZINC ZINC000000059496

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