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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2287063
CHEMBL2287063
Compound Name CONIINE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C8H17N

Additional synonyms for CHEMBL2287063 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC[C@H]1CCCCN1
Standard InChI InChI=1S/C8H17N/c1-2-5-8-6-3-4-7-9-8/h8-9H,2-7H2,1H3/t8-/m0/ ...
Download InChI
Standard InChI Key NDNUANOUGZGEPO-QMMMGPOBSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2287063

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
127.2 127.1361 1.93 2 12.03 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.63 2.17 -.69 0 9 0.6

Structural Alerts

There are no structural alerts for CHEMBL2287063

Compound Cross References

ChemSpider ChemSpider:NDNUANOUGZGEPO-QMMMGPOBSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2287063



ACToR 458-88-8
ChEBI 28322
EPA CompTox Dashboard DTXSID8041795
FDA SRS C479P32L2D
KEGG Ligand C06523
Metabolights MTBLC28322
Nikkaji J5.763K
PubChem 441072
PubChem: Thomson Pharma 16153827
SureChEMBL SCHEMBL335908
ZINC ZINC000002031579

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