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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1995464
CHEMBL1995464
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C2H4N2O2

Additional synonyms for CHEMBL1995464 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)C(=O)N
Standard InChI InChI=1S/C2H4N2O2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6)
Standard InChI Key YIKSCQDJHCMVMK-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1995464

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
88.1 88.0273 -2.04 0 86.18 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 4 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.28 - -1.47 -1.47 0 6 0.33

Structural Alerts

There are 5 structural alerts for CHEMBL1995464. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YIKSCQDJHCMVMK-UHFFFAOYSA-N
PubChem SID: 69371

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1995464



ACToR 69340-99-4 471-46-5
Brenda 165656
ChEBI 48248
eMolecules 530254
EPA CompTox Dashboard DTXSID1060051
FDA SRS SBE4M0223E
IBM Patent System 11D104492170A4098ED78B2ABA4B52CB
Mcule MCULE-9024594322
MolPort MolPort-003-938-776
Nikkaji J2.595J
PubChem 10113
PubChem: Thomson Pharma 14940431
SureChEMBL SCHEMBL52275
ZINC ZINC000005177750

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