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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL12284
CHEMBL12284
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C6H12N2O

Additional synonyms for CHEMBL12284 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCCN(C)C1=O
Standard InChI InChI=1S/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H3
Standard InChI Key GUVUOGQBMYCBQP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL12284

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
128.2 128.095 0.37 0 23.55 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 0 0 3 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - .93 .93 0 9 0.46

Structural Alerts

There are no structural alerts for CHEMBL12284

Compound Cross References

ChemSpider ChemSpider:GUVUOGQBMYCBQP-UHFFFAOYSA-N
Wikipedia DMPU

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL12284



ACToR 7226-23-5
ChemicalBook CB4675240
eMolecules 491987
EPA CompTox Dashboard DTXSID3074575
IBM Patent System E1DFDA443580406E67D6E8E8F43EB9B5
Mcule MCULE-5575317893
MolPort MolPort-003-928-594
Nikkaji J35.422H
NMRShiftDB 10008858
PubChem 81646
PubChem: Thomson Pharma 15146593
SureChEMBL SCHEMBL82580
ZINC ZINC000000157131

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