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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1889026
CHEMBL1889026
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C2H5N3O2

Additional synonyms for CHEMBL1889026 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)NC(=O)N
Standard InChI InChI=1S/C2H5N3O2/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7)
Standard InChI Key OHJMTUPIZMNBFR-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1889026

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
103.1 103.0382 -1.27 0 98.21 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.17 - -1.69 -1.7 0 7 0.36

Structural Alerts

There are 1 structural alerts for CHEMBL1889026. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OHJMTUPIZMNBFR-UHFFFAOYSA-N
PubChem SID: 144209361 SID: 144213508 SID: 17389140

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1889026



ACToR 108-19-0
Brenda 93683 170765 9365
ChEBI 18138
ChemicalBook CB8460994
eMolecules 483178
EPA CompTox Dashboard DTXSID2026783
FDA SRS 89LJ369D1H
IBM Patent System 4848575523DD8846F98828BE2F904AC8
KEGG Ligand C06555
Mcule MCULE-4571627886
MolPort MolPort-001-012-586
Nikkaji J2.416C
PDBe C5J
PubChem 7913
PubChem: Thomson Pharma 15016490
Rhea 18138
SureChEMBL SCHEMBL15045
ZINC ZINC000003875757

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