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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1615355
CHEMBL1615355
Compound Name
ChEMBL Synonyms Hypoglycin-A
Max Phase 0
Trade Names
Molecular Formula C7H11NO2

Additional synonyms for CHEMBL1615355 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@@H](C[C@H]1CC1=C)C(=O)O
Standard InChI InChI=1S/C7H11NO2/c1-4-2-5(4)3-6(8)7(9)10/h5-6H,1-3,8H2,(H,9 ...
Download InChI
Standard InChI Key OOJZCXFXPZGUBJ-RITPCOANSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1615355

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
141.2 141.079 -2.25 3 63.31 ZWITTERION


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.26 9.52 .41 -2.1 0 10 0.44

Structural Alerts

There are 3 structural alerts for CHEMBL1615355. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OOJZCXFXPZGUBJ-RITPCOANSA-N
Wikipedia Hypoglycin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1615355



Brenda 49121 93660
eMolecules 36753520
FDA SRS 7GB7U7M282
IBM Patent System 583A2FAF575F6A2145DE68523A6CB9FD
Nikkaji J85.271F
PubChem 40468186 11768666
PubChem: Thomson Pharma 16877080
SureChEMBL SCHEMBL476273
ZINC ZINC000003876008

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