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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL574699
CHEMBL574699
Compound Name BARBITURIC ACID
ChEMBL Synonyms Barbituric Acid
Max Phase 0
Trade Names
Molecular Formula C4H4N2O3

Additional synonyms for CHEMBL574699 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1CC(=O)NC(=O)N1
Standard InChI InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)
Standard InChI Key HNYOPLTXPVRDBG-UHFFFAOYSA-N

Structural Alerts

There are 1 structural alerts for CHEMBL574699. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL574699

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
128.1 128.0222 -1.05 0 75.27 ACID


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
4 - -1.13 -3.11 0 9 0.41

Compound Cross References

ChemSpider ChemSpider:HNYOPLTXPVRDBG-UHFFFAOYSA-N
PubChem SID: 144208122
Wikipedia Barbituric_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL574699



ACToR 117491-80-2 67-52-7
ChEBI 16294
eMolecules 479221
FDA SRS WQ92Y2793G
Human Metabolome Database HMDB41833
IBM Patent System 1FF26979B24A802B0204B3F80926AEBC
KEGG Ligand C00813
Mcule MCULE-3947237773
Nikkaji J348D
NMRShiftDB 20027388
PDBe BR8
PubChem 6211
PubChem: Thomson Pharma 15461893
SureChEMBL SCHEMBL38707

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