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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL314362
CHEMBL314362
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H14N6O3

Additional synonyms for CHEMBL314362 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCc1nc(NN2C(=O)C=C(C)C2=O)ncc1c3oc(C)nn3
Standard InChI InChI=1S/C14H14N6O3/c1-4-10-9(12-18-17-8(3)23-12)6-15-14(16- ...
Download InChI
Standard InChI Key OVTRQDBWOUEEAF-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL314362

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
314.3 314.1127 1.04 4 114.11 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 1 0 9 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - .19 .19 2 23 0.83

Structural Alerts

There are 4 structural alerts for CHEMBL314362. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OVTRQDBWOUEEAF-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL314362



PubChem 44320637
ZINC ZINC000013818214

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